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

C46H52F4N6O7 — CID 158189725

IUPACN-[[4-(2-aminoacetyl)-2-fluorophenyl]methyl]-N-(2-methoxyphenyl)piperidine-1-carboxamide;N-[[4-[2-[(2,2-difluoroacetyl)amino]acetyl]-2-fluorophenyl]methyl]-N-(2-methoxyphenyl)piperidine-1-carboxamide
SMILESCOc1ccccc1N(Cc1ccc(C(=O)CN)cc1F)C(=O)N1CCCCC1.COc1ccccc1N(Cc1ccc(C(=O)CNC(=O)C(F)F)cc1F)C(=O)N1CCCCC1
InChIInChI=1S/C24H26F3N3O4.C22H26FN3O3/c1-34-21-8-4-3-7-19(21)30(24(33)29-11-5-2-6-12-29)15-17-10-9-16(13-18(17)25)20(31)14-28-23(32)22(26)27;1-29-21-8-4-3-7-19(21)26(22(28)25-11-5-2-6-12-25)15-17-10-9-16(13-18(17)23)20(27)14-24/h3-4,7-10,13,22H,2,5-6,11-12,14-15H2,1H3,(H,28,32);3-4,7-10,13H,2,5-6,11-12,14-15,24H2,1H3
InChIKeyFZPCYSDRBSZHQS-UHFFFAOYSA-N
MW876.95 g/mol
LogP7.60
Rot. Bonds14

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

N-[[4-(2-aminoacetyl)-2-fluorophenyl]methyl]-N-(2-methoxyphenyl)piperidine-1-carboxamide;N-[[4-[2-[(2,2-difluoroacetyl)amino]acetyl]-2-fluorophenyl]methyl]-N-(2-methoxyphenyl)piperidine-1-carboxamide (PubChem CID 158189725) has the molecular formula C46H52F4N6O7 and a molecular weight of 876.95 g/mol. Its IUPAC name is N-[[4-(2-aminoacetyl)-2-fluorophenyl]methyl]-N-(2-methoxyphenyl)piperidine-1-carboxamide;N-[[4-[2-[(2,2-difluoroacetyl)amino]acetyl]-2-fluorophenyl]methyl]-N-(2-methoxyphenyl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-[[4-(2-aminoacetyl)-2-fluorophenyl]methyl]-N-(2-methoxyphenyl)piperidine-1-carboxamide;N-[[4-[2-[(2,2-difluoroacetyl)amino]acetyl]-2-fluorophenyl]methyl]-N-(2-methoxyphenyl)piperidine-1-carboxamide
PubChem CID158189725
Molecular FormulaC46H52F4N6O7
Molecular Weight876.95 g/mol
Exact Mass876.38
IUPAC NameN-[[4-(2-aminoacetyl)-2-fluorophenyl]methyl]-N-(2-methoxyphenyl)piperidine-1-carboxamide;N-[[4-[2-[(2,2-difluoroacetyl)amino]acetyl]-2-fluorophenyl]methyl]-N-(2-methoxyphenyl)piperidine-1-carboxamide
SMILESCOc1ccccc1N(Cc1ccc(C(=O)CN)cc1F)C(=O)N1CCCCC1.COc1ccccc1N(Cc1ccc(C(=O)CNC(=O)C(F)F)cc1F)C(=O)N1CCCCC1
InChIInChI=1S/C24H26F3N3O4.C22H26FN3O3/c1-34-21-8-4-3-7-19(21)30(24(33)29-11-5-2-6-12-29)15-17-10-9-16(13-18(17)25)20(31)14-28-23(32)22(26)27;1-29-21-8-4-3-7-19(21)26(22(28)25-11-5-2-6-12-25)15-17-10-9-16(13-18(17)23)20(27)14-24/h3-4,7-10,13,22H,2,5-6,11-12,14-15H2,1H3,(H,28,32);3-4,7-10,13H,2,5-6,11-12,14-15,24H2,1H3
InChIKeyFZPCYSDRBSZHQS-UHFFFAOYSA-N
XLogP7.60
TPSA154.82 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds14
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500876.95
LogP ≤ 57.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze N-[[4-(2-aminoacetyl)-2-fluorophenyl]methyl]-N-(2-methoxyphenyl)piperidine-1-carboxamide;N-[[4-[2-[(2,2-difluoroacetyl)amino]acetyl]-2-fluorophenyl]methyl]-N-(2-methoxyphenyl)piperidine-1-carboxamide with MolForge

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Related Compounds

GR-103691
CID 4302960
N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-4-phenylbenzamide
CID 10939167
9-(2,6-difluorobenzoyl)-N-[4-(trifluoromethoxy)phenyl]-1-oxa-4,9-diazaspiro[5.5]undecane-4-carboxamide
CID 71679347
4-(4-aminophenyl)-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]benzamide
CID 11271099
N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl][2.2]-paracyclophane-4-carboxamide
CID 11504230
4-Acetyl-N-{4-[4-(2-methoxy-phenyl)-piperazin-1-yl]-butyl}-benzamide
CID 11761374
N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-4-[2-[2-[2-[2-[2-[[4-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butylcarbamoyl]phenyl]methoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxymethyl]benzamide
CID 56837419
N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-4-[2-[2-[2-[2-[2-[2-[[4-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butylcarbamoyl]phenyl]methoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxymethyl]benzamide
CID 56837634
N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-4-[2-[2-[2-[2-[2-[2-[2-[2-[[4-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butylcarbamoyl]phenyl]methoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxymethyl]benzamide
CID 56837635
N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-4-[2-[2-[2-[2-[[4-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butylcarbamoyl]phenyl]methoxy]ethoxy]ethoxy]ethoxy]ethoxymethyl]benzamide
CID 57390118
9-(2-fluorobenzoyl)-N-[4-(trifluoromethoxy)phenyl]-1-oxa-4,9-diazaspiro[5.5]undecane-4-carboxamide
CID 71660815
4-(2,6-difluorobenzoyl)-N-[4-(trifluoromethoxy)phenyl]-1-oxa-4,9-diazaspiro[5.5]undecane-9-carboxamide
CID 73212758

Frequently Asked Questions

What is the IUPAC name of N-[[4-(2-aminoacetyl)-2-fluorophenyl]methyl]-N-(2-methoxyphenyl)piperidine-1-carboxamide;N-[[4-[2-[(2,2-difluoroacetyl)amino]acetyl]-2-fluorophenyl]methyl]-N-(2-methoxyphenyl)piperidine-1-carboxamide?
The IUPAC name of N-[[4-(2-aminoacetyl)-2-fluorophenyl]methyl]-N-(2-methoxyphenyl)piperidine-1-carboxamide;N-[[4-[2-[(2,2-difluoroacetyl)amino]acetyl]-2-fluorophenyl]methyl]-N-(2-methoxyphenyl)piperidine-1-carboxamide (CID 158189725) is N-[[4-(2-aminoacetyl)-2-fluorophenyl]methyl]-N-(2-methoxyphenyl)piperidine-1-carboxamide;N-[[4-[2-[(2,2-difluoroacetyl)amino]acetyl]-2-fluorophenyl]methyl]-N-(2-methoxyphenyl)piperidine-1-carboxamide.
What is the SMILES notation for N-[[4-(2-aminoacetyl)-2-fluorophenyl]methyl]-N-(2-methoxyphenyl)piperidine-1-carboxamide;N-[[4-[2-[(2,2-difluoroacetyl)amino]acetyl]-2-fluorophenyl]methyl]-N-(2-methoxyphenyl)piperidine-1-carboxamide?
The canonical SMILES for N-[[4-(2-aminoacetyl)-2-fluorophenyl]methyl]-N-(2-methoxyphenyl)piperidine-1-carboxamide;N-[[4-[2-[(2,2-difluoroacetyl)amino]acetyl]-2-fluorophenyl]methyl]-N-(2-methoxyphenyl)piperidine-1-carboxamide is COc1ccccc1N(Cc1ccc(C(=O)CN)cc1F)C(=O)N1CCCCC1.COc1ccccc1N(Cc1ccc(C(=O)CNC(=O)C(F)F)cc1F)C(=O)N1CCCCC1.
What is the InChIKey of N-[[4-(2-aminoacetyl)-2-fluorophenyl]methyl]-N-(2-methoxyphenyl)piperidine-1-carboxamide;N-[[4-[2-[(2,2-difluoroacetyl)amino]acetyl]-2-fluorophenyl]methyl]-N-(2-methoxyphenyl)piperidine-1-carboxamide?
The InChIKey is FZPCYSDRBSZHQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26F3N3O4.C22H26FN3O3/c1-34-21-8-4-3-7-19(21)30(24(33)29-11-5-2-6-12-29)15-17-10-9-16(13-18(17)25)20(31)14-28-23(32)22(26)27;1-29-21-8-4-3-7-19(21)26(22(28)25-11-5-2-6-12-25)15-17-10-9-16(13-18(17)23)20(27)14-24/h3-4,7-10,13,22H,2,5-6,11-12,14-15H2,1H3,(H,28,32);3-4,7-10,13H,2,5-6,11-12,14-15,24H2,1H3.
What are the key properties of N-[[4-(2-aminoacetyl)-2-fluorophenyl]methyl]-N-(2-methoxyphenyl)piperidine-1-carboxamide;N-[[4-[2-[(2,2-difluoroacetyl)amino]acetyl]-2-fluorophenyl]methyl]-N-(2-methoxyphenyl)piperidine-1-carboxamide?
N-[[4-(2-aminoacetyl)-2-fluorophenyl]methyl]-N-(2-methoxyphenyl)piperidine-1-carboxamide;N-[[4-[2-[(2,2-difluoroacetyl)amino]acetyl]-2-fluorophenyl]methyl]-N-(2-methoxyphenyl)piperidine-1-carboxamide has a molecular weight of 876.95 g/mol, XLogP of 7.60, 14 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(2-aminoacetyl)-2-fluorophenyl]methyl]-N-(2-methoxyphenyl)piperidine-1-carboxamide;N-[[4-[2-[(2,2-difluoroacetyl)amino]acetyl]-2-fluorophenyl]methyl]-N-(2-methoxyphenyl)piperidine-1-carboxamide is sourced from PubChem (CID 158189725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).