N-[[4-(2-aminoacetyl)phenyl]methyl]-N-propan-2-ylpiperidine-1-carboxamide;N-propan-2-yl-N-[[4-[2-[(2,2,2-trifluoroacetyl)amino]acetyl]phenyl]methyl]piperidine-1-carboxamide

C38H53F3N6O5 — CID 159897562

IUPACN-[[4-(2-aminoacetyl)phenyl]methyl]-N-propan-2-ylpiperidine-1-carboxamide;N-propan-2-yl-N-[[4-[2-[(2,2,2-trifluoroacetyl)amino]acetyl]phenyl]methyl]piperidine-1-carboxamide
SMILESCC(C)N(Cc1ccc(C(=O)CN)cc1)C(=O)N1CCCCC1.CC(C)N(Cc1ccc(C(=O)CNC(=O)C(F)(F)F)cc1)C(=O)N1CCCCC1
InChIInChI=1S/C20H26F3N3O3.C18H27N3O2/c1-14(2)26(19(29)25-10-4-3-5-11-25)13-15-6-8-16(9-7-15)17(27)12-24-18(28)20(21,22)23;1-14(2)21(18(23)20-10-4-3-5-11-20)13-15-6-8-16(9-7-15)17(22)12-19/h6-9,14H,3-5,10-13H2,1-2H3,(H,24,28);6-9,14H,3-5,10-13,19H2,1-2H3
InChIKeyNVNQYPKCDHSAHK-UHFFFAOYSA-N
MW730.87 g/mol
LogP6.01
Rot. Bonds11

About N-[[4-(2-aminoacetyl)phenyl]methyl]-N-propan-2-ylpiperidine-1-carboxamide;N-propan-2-yl-N-[[4-[2-[(2,2,2-trifluoroacetyl)amino]acetyl]phenyl]methyl]piperidine-1-carboxamide

N-[[4-(2-aminoacetyl)phenyl]methyl]-N-propan-2-ylpiperidine-1-carboxamide;N-propan-2-yl-N-[[4-[2-[(2,2,2-trifluoroacetyl)amino]acetyl]phenyl]methyl]piperidine-1-carboxamide (PubChem CID 159897562) has the molecular formula C38H53F3N6O5 and a molecular weight of 730.87 g/mol. Its IUPAC name is N-[[4-(2-aminoacetyl)phenyl]methyl]-N-propan-2-ylpiperidine-1-carboxamide;N-propan-2-yl-N-[[4-[2-[(2,2,2-trifluoroacetyl)amino]acetyl]phenyl]methyl]piperidine-1-carboxamide.

Molecular Properties

Compound NameN-[[4-(2-aminoacetyl)phenyl]methyl]-N-propan-2-ylpiperidine-1-carboxamide;N-propan-2-yl-N-[[4-[2-[(2,2,2-trifluoroacetyl)amino]acetyl]phenyl]methyl]piperidine-1-carboxamide
PubChem CID159897562
Molecular FormulaC38H53F3N6O5
Molecular Weight730.87 g/mol
Exact Mass730.40
IUPAC NameN-[[4-(2-aminoacetyl)phenyl]methyl]-N-propan-2-ylpiperidine-1-carboxamide;N-propan-2-yl-N-[[4-[2-[(2,2,2-trifluoroacetyl)amino]acetyl]phenyl]methyl]piperidine-1-carboxamide
SMILESCC(C)N(Cc1ccc(C(=O)CN)cc1)C(=O)N1CCCCC1.CC(C)N(Cc1ccc(C(=O)CNC(=O)C(F)(F)F)cc1)C(=O)N1CCCCC1
InChIInChI=1S/C20H26F3N3O3.C18H27N3O2/c1-14(2)26(19(29)25-10-4-3-5-11-25)13-15-6-8-16(9-7-15)17(27)12-24-18(28)20(21,22)23;1-14(2)21(18(23)20-10-4-3-5-11-20)13-15-6-8-16(9-7-15)17(22)12-19/h6-9,14H,3-5,10-13H2,1-2H3,(H,24,28);6-9,14H,3-5,10-13,19H2,1-2H3
InChIKeyNVNQYPKCDHSAHK-UHFFFAOYSA-N
XLogP6.01
TPSA136.36 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500730.87
LogP ≤ 56.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[[4-(2-aminoacetyl)phenyl]methyl]-N-propan-2-ylpiperidine-1-carboxamide;N-propan-2-yl-N-[[4-[2-[(2,2,2-trifluoroacetyl)amino]acetyl]phenyl]methyl]piperidine-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(2S)-1-oxo-1-[[(E,3S)-6-oxo-1-phenylhept-4-en-3-yl]amino]-3-phenylpropan-2-yl]-4-(trifluoromethyl)benzamide
CID 155567513
(2S)-1-[(2S)-3-Methyl-2-[[4-[4-(morpholine-4-carbonyl)piperazine-1-carbonyl]benzoyl]amino]butanoyl]-N-(5,5,6,6,6-pentafluoro-2-methyl-4-oxohexan-3-yl)pyrrolidine-2-carboxamide
CID 44360132
(3S)-9-[(4-benzoylphenyl)methyl]-1-butyl-3-(cyclohexylmethyl)-1,4,9-triazaspiro[5.5]undecane-2,5-dione;hydrochloride
CID 49799704
N-[(2S)-1-[[(2S)-1-[[(3S)-4-methyl-1-[[2-(4-methylpiperazin-1-yl)-2-oxoethyl]amino]-1,2-dioxopentan-3-yl]amino]-1-oxopropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]benzamide
CID 68304452
N-[(2S)-1-[[(2S)-1-[[(3S)-4-methyl-1,2-dioxo-1-[[2-oxo-2-(4-propan-2-ylpiperazin-1-yl)ethyl]amino]pentan-3-yl]amino]-1-oxopropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]benzamide
CID 68304488
N-[(2S)-1-[[(2S)-1-[[(3S)-4-methyl-1,2-dioxo-1-[(2-oxo-2-piperidin-1-ylethyl)amino]pentan-3-yl]amino]-1-oxopropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]benzamide
CID 68305409
N-[(2S)-1-[[(2S)-1-[[(3S)-4-methyl-1-[[(2S)-1-(4-methylpiperazin-1-yl)-1-oxopropan-2-yl]amino]-1,2-dioxopentan-3-yl]amino]-1-oxopropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]benzamide
CID 68305510
N-[2-oxo-2-phenyl-1-(piperidin-1-yl)ethyl]benzamide
CID 2830322
N-[(1S)-2-[butyl(methyl)amino]-2-oxo-1-phenylethyl]-1-[2-[4-(trifluoromethyl)phenyl]benzoyl]piperidine-4-carboxamide
CID 44411685
N-[(1S)-2-oxo-1-phenyl-2-piperidin-1-ylethyl]-1-[2-[4-(trifluoromethyl)phenyl]benzoyl]piperidine-4-carboxamide
CID 44411715
N-[(1S)-2-[ethyl(propyl)amino]-2-oxo-1-phenylethyl]-1-[2-[4-(trifluoromethyl)phenyl]benzoyl]piperidine-4-carboxamide
CID 44411910
N-[(3S)-1-[(3R)-3-[(1-acetylpiperidin-4-yl)amino]pyrrolidine-1-carbonyl]pyrrolidin-3-yl]-N-methyl-4-[4-(trifluoromethyl)phenyl]benzamide
CID 44415525

Frequently Asked Questions

What is the IUPAC name of N-[[4-(2-aminoacetyl)phenyl]methyl]-N-propan-2-ylpiperidine-1-carboxamide;N-propan-2-yl-N-[[4-[2-[(2,2,2-trifluoroacetyl)amino]acetyl]phenyl]methyl]piperidine-1-carboxamide?
The IUPAC name of N-[[4-(2-aminoacetyl)phenyl]methyl]-N-propan-2-ylpiperidine-1-carboxamide;N-propan-2-yl-N-[[4-[2-[(2,2,2-trifluoroacetyl)amino]acetyl]phenyl]methyl]piperidine-1-carboxamide (CID 159897562) is N-[[4-(2-aminoacetyl)phenyl]methyl]-N-propan-2-ylpiperidine-1-carboxamide;N-propan-2-yl-N-[[4-[2-[(2,2,2-trifluoroacetyl)amino]acetyl]phenyl]methyl]piperidine-1-carboxamide.
What is the SMILES notation for N-[[4-(2-aminoacetyl)phenyl]methyl]-N-propan-2-ylpiperidine-1-carboxamide;N-propan-2-yl-N-[[4-[2-[(2,2,2-trifluoroacetyl)amino]acetyl]phenyl]methyl]piperidine-1-carboxamide?
The canonical SMILES for N-[[4-(2-aminoacetyl)phenyl]methyl]-N-propan-2-ylpiperidine-1-carboxamide;N-propan-2-yl-N-[[4-[2-[(2,2,2-trifluoroacetyl)amino]acetyl]phenyl]methyl]piperidine-1-carboxamide is CC(C)N(Cc1ccc(C(=O)CN)cc1)C(=O)N1CCCCC1.CC(C)N(Cc1ccc(C(=O)CNC(=O)C(F)(F)F)cc1)C(=O)N1CCCCC1.
What is the InChIKey of N-[[4-(2-aminoacetyl)phenyl]methyl]-N-propan-2-ylpiperidine-1-carboxamide;N-propan-2-yl-N-[[4-[2-[(2,2,2-trifluoroacetyl)amino]acetyl]phenyl]methyl]piperidine-1-carboxamide?
The InChIKey is NVNQYPKCDHSAHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26F3N3O3.C18H27N3O2/c1-14(2)26(19(29)25-10-4-3-5-11-25)13-15-6-8-16(9-7-15)17(27)12-24-18(28)20(21,22)23;1-14(2)21(18(23)20-10-4-3-5-11-20)13-15-6-8-16(9-7-15)17(22)12-19/h6-9,14H,3-5,10-13H2,1-2H3,(H,24,28);6-9,14H,3-5,10-13,19H2,1-2H3.
What are the key properties of N-[[4-(2-aminoacetyl)phenyl]methyl]-N-propan-2-ylpiperidine-1-carboxamide;N-propan-2-yl-N-[[4-[2-[(2,2,2-trifluoroacetyl)amino]acetyl]phenyl]methyl]piperidine-1-carboxamide?
N-[[4-(2-aminoacetyl)phenyl]methyl]-N-propan-2-ylpiperidine-1-carboxamide;N-propan-2-yl-N-[[4-[2-[(2,2,2-trifluoroacetyl)amino]acetyl]phenyl]methyl]piperidine-1-carboxamide has a molecular weight of 730.87 g/mol, XLogP of 6.01, 11 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(2-aminoacetyl)phenyl]methyl]-N-propan-2-ylpiperidine-1-carboxamide;N-propan-2-yl-N-[[4-[2-[(2,2,2-trifluoroacetyl)amino]acetyl]phenyl]methyl]piperidine-1-carboxamide is sourced from PubChem (CID 159897562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).