1-(2-aminoacetyl)-N-(1-phenyl-2-pyridin-2-ylethyl)piperidine-2-carboxamide

C21H26N4O2 — CID 134541281

IUPAC1-(2-aminoacetyl)-N-(1-phenyl-2-pyridin-2-ylethyl)piperidine-2-carboxamide
SMILESNCC(=O)N1CCCCC1C(=O)NC(Cc1ccccn1)c1ccccc1
InChIInChI=1S/C21H26N4O2/c22-15-20(26)25-13-7-5-11-19(25)21(27)24-18(16-8-2-1-3-9-16)14-17-10-4-6-12-23-17/h1-4,6,8-10,12,18-19H,5,7,11,13-15,22H2,(H,24,27)
InChIKeyUSWNXULKKJHEEJ-UHFFFAOYSA-N
MW366.46 g/mol
LogP1.82
Rot. Bonds6

About 1-(2-aminoacetyl)-N-(1-phenyl-2-pyridin-2-ylethyl)piperidine-2-carboxamide

1-(2-aminoacetyl)-N-(1-phenyl-2-pyridin-2-ylethyl)piperidine-2-carboxamide (PubChem CID 134541281) has the molecular formula C21H26N4O2 and a molecular weight of 366.46 g/mol. Its IUPAC name is 1-(2-aminoacetyl)-N-(1-phenyl-2-pyridin-2-ylethyl)piperidine-2-carboxamide.

Molecular Properties

Compound Name1-(2-aminoacetyl)-N-(1-phenyl-2-pyridin-2-ylethyl)piperidine-2-carboxamide
PubChem CID134541281
Molecular FormulaC21H26N4O2
Molecular Weight366.46 g/mol
Exact Mass366.21
IUPAC Name1-(2-aminoacetyl)-N-(1-phenyl-2-pyridin-2-ylethyl)piperidine-2-carboxamide
SMILESNCC(=O)N1CCCCC1C(=O)NC(Cc1ccccn1)c1ccccc1
InChIInChI=1S/C21H26N4O2/c22-15-20(26)25-13-7-5-11-19(25)21(27)24-18(16-8-2-1-3-9-16)14-17-10-4-6-12-23-17/h1-4,6,8-10,12,18-19H,5,7,11,13-15,22H2,(H,24,27)
InChIKeyUSWNXULKKJHEEJ-UHFFFAOYSA-N
XLogP1.82
TPSA88.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.46
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,6-diaminohexanoyl)-N-(1-phenyl-2-pyridin-2-ylethyl)pyrrolidine-2-carboxamide
CID 123233859
1-[2-amino-3-(4-hydroxyphenyl)propanoyl]-N-(1-phenyl-2-pyridin-2-ylethyl)pyrrolidine-2-carboxamide
CID 122572977
(2S)-2-amino-4-methyl-1-[(2S)-2-[1-[[(1S)-1-phenyl-2-pyridin-2-ylethyl]amino]ethenyl]pyrrolidin-1-yl]pentan-1-one
CID 166762831
tert-butyl N-[4-methyl-1-oxo-1-[2-[(1-phenyl-2-pyridin-2-ylethyl)carbamoyl]pyrrolidin-1-yl]pentan-2-yl]carbamate
CID 123791716
(2S)-2-[[(2S)-1-(2-aminoacetyl)pyrrolidine-2-carbonyl]amino]-3-phenylpropanoic acid
CID 10403659
(1-phenyl-2-pyridin-2-ylethyl)carbamic acid
CID 134541861
2-[1-[(1-phenyl-2-pyridin-2-ylethyl)carbamoyl]piperidin-3-yl]acetic acid
CID 146133775
3-amino-N-[2-oxo-2-[(1-phenyl-2-pyridin-2-ylethyl)amino]ethyl]propanamide
CID 134542197
2-(cyclopentanecarbonylamino)-3-pyridin-2-ylpropanoic acid
CID 166247442
N-[(1S)-2-hydroxy-1-phenylethyl]-1-(thiophene-2-carbonyl)piperidine-2-carboxamide
CID 136580816
(2S)-1-(3-pyridin-2-ylpropanoyl)pyrrolidine-2-carboxylic acid
CID 81453761
(2R)-1-N-[(1S)-2-(1H-imidazol-2-yl)-1-phenylethyl]-2-N-methylpyrrolidine-1,2-dicarboxamide
CID 97326653

Frequently Asked Questions

What is the IUPAC name of 1-(2-aminoacetyl)-N-(1-phenyl-2-pyridin-2-ylethyl)piperidine-2-carboxamide?
The IUPAC name of 1-(2-aminoacetyl)-N-(1-phenyl-2-pyridin-2-ylethyl)piperidine-2-carboxamide (CID 134541281) is 1-(2-aminoacetyl)-N-(1-phenyl-2-pyridin-2-ylethyl)piperidine-2-carboxamide.
What is the SMILES notation for 1-(2-aminoacetyl)-N-(1-phenyl-2-pyridin-2-ylethyl)piperidine-2-carboxamide?
The canonical SMILES for 1-(2-aminoacetyl)-N-(1-phenyl-2-pyridin-2-ylethyl)piperidine-2-carboxamide is NCC(=O)N1CCCCC1C(=O)NC(Cc1ccccn1)c1ccccc1.
What is the InChIKey of 1-(2-aminoacetyl)-N-(1-phenyl-2-pyridin-2-ylethyl)piperidine-2-carboxamide?
The InChIKey is USWNXULKKJHEEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O2/c22-15-20(26)25-13-7-5-11-19(25)21(27)24-18(16-8-2-1-3-9-16)14-17-10-4-6-12-23-17/h1-4,6,8-10,12,18-19H,5,7,11,13-15,22H2,(H,24,27).
What are the key properties of 1-(2-aminoacetyl)-N-(1-phenyl-2-pyridin-2-ylethyl)piperidine-2-carboxamide?
1-(2-aminoacetyl)-N-(1-phenyl-2-pyridin-2-ylethyl)piperidine-2-carboxamide has a molecular weight of 366.46 g/mol, XLogP of 1.82, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminoacetyl)-N-(1-phenyl-2-pyridin-2-ylethyl)piperidine-2-carboxamide is sourced from PubChem (CID 134541281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).