N-[[4-(2-aminoacetyl)-2-fluorophenyl]methyl]-N-(1-methylindazol-6-yl)piperidine-1-carboxamide;N-[[4-[2-[(2,2-difluoroacetyl)amino]acetyl]-2-fluorophenyl]methyl]-N-(1-methylindazol-6-yl)piperidine-1-carboxamide

C48H52F4N10O5 — CID 158373017

IUPACN-[[4-(2-aminoacetyl)-2-fluorophenyl]methyl]-N-(1-methylindazol-6-yl)piperidine-1-carboxamide;N-[[4-[2-[(2,2-difluoroacetyl)amino]acetyl]-2-fluorophenyl]methyl]-N-(1-methylindazol-6-yl)piperidine-1-carboxamide
SMILESCn1ncc2ccc(N(Cc3ccc(C(=O)CN)cc3F)C(=O)N3CCCCC3)cc21.Cn1ncc2ccc(N(Cc3ccc(C(=O)CNC(=O)C(F)F)cc3F)C(=O)N3CCCCC3)cc21
InChIInChI=1S/C25H26F3N5O3.C23H26FN5O2/c1-31-21-12-19(8-7-17(21)13-30-31)33(25(36)32-9-3-2-4-10-32)15-18-6-5-16(11-20(18)26)22(34)14-29-24(35)23(27)28;1-27-21-12-19(8-7-17(21)14-26-27)29(23(31)28-9-3-2-4-10-28)15-18-6-5-16(11-20(18)24)22(30)13-25/h5-8,11-13,23H,2-4,9-10,14-15H2,1H3,(H,29,35);5-8,11-12,14H,2-4,9-10,13,15,25H2,1H3
InChIKeyGUVUYNVLKJEOHG-UHFFFAOYSA-N
MW925.00 g/mol
LogP7.36
Rot. Bonds12

About N-[[4-(2-aminoacetyl)-2-fluorophenyl]methyl]-N-(1-methylindazol-6-yl)piperidine-1-carboxamide;N-[[4-[2-[(2,2-difluoroacetyl)amino]acetyl]-2-fluorophenyl]methyl]-N-(1-methylindazol-6-yl)piperidine-1-carboxamide

N-[[4-(2-aminoacetyl)-2-fluorophenyl]methyl]-N-(1-methylindazol-6-yl)piperidine-1-carboxamide;N-[[4-[2-[(2,2-difluoroacetyl)amino]acetyl]-2-fluorophenyl]methyl]-N-(1-methylindazol-6-yl)piperidine-1-carboxamide (PubChem CID 158373017) has the molecular formula C48H52F4N10O5 and a molecular weight of 925.00 g/mol. Its IUPAC name is N-[[4-(2-aminoacetyl)-2-fluorophenyl]methyl]-N-(1-methylindazol-6-yl)piperidine-1-carboxamide;N-[[4-[2-[(2,2-difluoroacetyl)amino]acetyl]-2-fluorophenyl]methyl]-N-(1-methylindazol-6-yl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-[[4-(2-aminoacetyl)-2-fluorophenyl]methyl]-N-(1-methylindazol-6-yl)piperidine-1-carboxamide;N-[[4-[2-[(2,2-difluoroacetyl)amino]acetyl]-2-fluorophenyl]methyl]-N-(1-methylindazol-6-yl)piperidine-1-carboxamide
PubChem CID158373017
Molecular FormulaC48H52F4N10O5
Molecular Weight925.00 g/mol
Exact Mass924.41
IUPAC NameN-[[4-(2-aminoacetyl)-2-fluorophenyl]methyl]-N-(1-methylindazol-6-yl)piperidine-1-carboxamide;N-[[4-[2-[(2,2-difluoroacetyl)amino]acetyl]-2-fluorophenyl]methyl]-N-(1-methylindazol-6-yl)piperidine-1-carboxamide
SMILESCn1ncc2ccc(N(Cc3ccc(C(=O)CN)cc3F)C(=O)N3CCCCC3)cc21.Cn1ncc2ccc(N(Cc3ccc(C(=O)CNC(=O)C(F)F)cc3F)C(=O)N3CCCCC3)cc21
InChIInChI=1S/C25H26F3N5O3.C23H26FN5O2/c1-31-21-12-19(8-7-17(21)13-30-31)33(25(36)32-9-3-2-4-10-32)15-18-6-5-16(11-20(18)26)22(34)14-29-24(35)23(27)28;1-27-21-12-19(8-7-17(21)14-26-27)29(23(31)28-9-3-2-4-10-28)15-18-6-5-16(11-20(18)24)22(30)13-25/h5-8,11-13,23H,2-4,9-10,14-15H2,1H3,(H,29,35);5-8,11-12,14H,2-4,9-10,13,15,25H2,1H3
InChIKeyGUVUYNVLKJEOHG-UHFFFAOYSA-N
XLogP7.36
TPSA172.00 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds12
Heavy Atoms67
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500925.00
LogP ≤ 57.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

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Related Compounds

N-[[4-[2-[(2,2-difluoroacetyl)amino]acetyl]-2-fluorophenyl]methyl]-N-(3-methylphenyl)piperidine-1-carboxamide
CID 159569204
N-[[4-[2-[(2,2-difluoroacetyl)amino]acetyl]-2-fluorophenyl]methyl]-2-ethyl-N-(1-methylindazol-6-yl)-2,7-diazaspiro[3.5]nonane-7-carboxamide;N-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-fluorophenyl]methyl]-2-ethyl-N-(1-methylindazol-6-yl)-2,7-diazaspiro[3.5]nonane-7-carboxamide
CID 158382543
N-[[4-(2-aminoacetyl)-2-fluorophenyl]methyl]-N-(1-methylindazol-6-yl)morpholine-4-carboxamide;N-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-fluorophenyl]methyl]-N-(1-methylindazol-6-yl)morpholine-4-carboxamide
CID 161397463
N-[[4-(2-aminoacetyl)-2-fluorophenyl]methyl]-4-methyl-N-(2-methylphenyl)piperazine-1-carboxamide;N-[[4-[2-[(2,2-difluoroacetyl)amino]acetyl]-2-fluorophenyl]methyl]-4-methyl-N-(2-methylphenyl)piperazine-1-carboxamide
CID 159840087
N-[[4-[2-[(2,2-difluoroacetyl)amino]acetyl]-2-fluorophenyl]methyl]-4-methyl-N-phenyl-1,4-diazepane-1-carboxamide
CID 158447662
N-[[4-[2-[(2,2-difluoroacetyl)amino]acetyl]-2-fluorophenyl]methyl]-N-(3-methoxyphenyl)-4-methylpiperazine-1-carboxamide
CID 157138478
N-[[4-(2-aminoacetyl)-2-fluorophenyl]methyl]-4-methyl-N-(1-methylindazol-7-yl)piperazine-1-carboxamide
CID 159226104
N-[[4-[[(2,2-difluoroacetyl)amino]carbamoyl]-2-fluorophenyl]methyl]-N-(1-propan-2-ylindazol-6-yl)thiomorpholine-4-carboxamide
CID 134584424
N-[[2-fluoro-4-[2-[(2,2,2-trifluoroacetyl)amino]acetyl]phenyl]methyl]-N-(4-methoxyphenyl)piperidine-1-carboxamide
CID 158288790
N-[[4-(2-aminoacetyl)-2-fluorophenyl]methyl]-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]piperidine-1-carboxamide;methyl 3-fluoro-4-[[4-[(4-methylpiperazin-1-yl)methyl]-N-(piperidine-1-carbonyl)anilino]methyl]benzoate
CID 159840471
N-[[4-[2-[(2,2-difluoroacetyl)amino]acetyl]-2-fluorophenyl]methyl]-N-(4-fluorophenyl)morpholine-4-carboxamide;N-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-fluorophenyl]methyl]-N-(4-fluorophenyl)morpholine-4-carboxamide
CID 159497064
N-[[4-[2-[(2,2-difluoroacetyl)amino]acetyl]-2-fluorophenyl]methyl]-4-ethyl-N-(4-fluorophenyl)piperazine-1-carboxamide;N-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-fluorophenyl]methyl]-4-ethyl-N-(4-fluorophenyl)piperazine-1-carboxamide
CID 159504372

Frequently Asked Questions

What is the IUPAC name of N-[[4-(2-aminoacetyl)-2-fluorophenyl]methyl]-N-(1-methylindazol-6-yl)piperidine-1-carboxamide;N-[[4-[2-[(2,2-difluoroacetyl)amino]acetyl]-2-fluorophenyl]methyl]-N-(1-methylindazol-6-yl)piperidine-1-carboxamide?
The IUPAC name of N-[[4-(2-aminoacetyl)-2-fluorophenyl]methyl]-N-(1-methylindazol-6-yl)piperidine-1-carboxamide;N-[[4-[2-[(2,2-difluoroacetyl)amino]acetyl]-2-fluorophenyl]methyl]-N-(1-methylindazol-6-yl)piperidine-1-carboxamide (CID 158373017) is N-[[4-(2-aminoacetyl)-2-fluorophenyl]methyl]-N-(1-methylindazol-6-yl)piperidine-1-carboxamide;N-[[4-[2-[(2,2-difluoroacetyl)amino]acetyl]-2-fluorophenyl]methyl]-N-(1-methylindazol-6-yl)piperidine-1-carboxamide.
What is the SMILES notation for N-[[4-(2-aminoacetyl)-2-fluorophenyl]methyl]-N-(1-methylindazol-6-yl)piperidine-1-carboxamide;N-[[4-[2-[(2,2-difluoroacetyl)amino]acetyl]-2-fluorophenyl]methyl]-N-(1-methylindazol-6-yl)piperidine-1-carboxamide?
The canonical SMILES for N-[[4-(2-aminoacetyl)-2-fluorophenyl]methyl]-N-(1-methylindazol-6-yl)piperidine-1-carboxamide;N-[[4-[2-[(2,2-difluoroacetyl)amino]acetyl]-2-fluorophenyl]methyl]-N-(1-methylindazol-6-yl)piperidine-1-carboxamide is Cn1ncc2ccc(N(Cc3ccc(C(=O)CN)cc3F)C(=O)N3CCCCC3)cc21.Cn1ncc2ccc(N(Cc3ccc(C(=O)CNC(=O)C(F)F)cc3F)C(=O)N3CCCCC3)cc21.
What is the InChIKey of N-[[4-(2-aminoacetyl)-2-fluorophenyl]methyl]-N-(1-methylindazol-6-yl)piperidine-1-carboxamide;N-[[4-[2-[(2,2-difluoroacetyl)amino]acetyl]-2-fluorophenyl]methyl]-N-(1-methylindazol-6-yl)piperidine-1-carboxamide?
The InChIKey is GUVUYNVLKJEOHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26F3N5O3.C23H26FN5O2/c1-31-21-12-19(8-7-17(21)13-30-31)33(25(36)32-9-3-2-4-10-32)15-18-6-5-16(11-20(18)26)22(34)14-29-24(35)23(27)28;1-27-21-12-19(8-7-17(21)14-26-27)29(23(31)28-9-3-2-4-10-28)15-18-6-5-16(11-20(18)24)22(30)13-25/h5-8,11-13,23H,2-4,9-10,14-15H2,1H3,(H,29,35);5-8,11-12,14H,2-4,9-10,13,15,25H2,1H3.
What are the key properties of N-[[4-(2-aminoacetyl)-2-fluorophenyl]methyl]-N-(1-methylindazol-6-yl)piperidine-1-carboxamide;N-[[4-[2-[(2,2-difluoroacetyl)amino]acetyl]-2-fluorophenyl]methyl]-N-(1-methylindazol-6-yl)piperidine-1-carboxamide?
N-[[4-(2-aminoacetyl)-2-fluorophenyl]methyl]-N-(1-methylindazol-6-yl)piperidine-1-carboxamide;N-[[4-[2-[(2,2-difluoroacetyl)amino]acetyl]-2-fluorophenyl]methyl]-N-(1-methylindazol-6-yl)piperidine-1-carboxamide has a molecular weight of 925.00 g/mol, XLogP of 7.36, 12 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(2-aminoacetyl)-2-fluorophenyl]methyl]-N-(1-methylindazol-6-yl)piperidine-1-carboxamide;N-[[4-[2-[(2,2-difluoroacetyl)amino]acetyl]-2-fluorophenyl]methyl]-N-(1-methylindazol-6-yl)piperidine-1-carboxamide is sourced from PubChem (CID 158373017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).