1-(3-amino-3-phenylpropanoyl)-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide

C21H26N4O2 — CID 119953217

IUPAC1-(3-amino-3-phenylpropanoyl)-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide
SMILESCc1cccc(NC(=O)C2CCCN(C(=O)CC(N)c3ccccc3)C2)n1
InChIInChI=1S/C21H26N4O2/c1-15-7-5-11-19(23-15)24-21(27)17-10-6-12-25(14-17)20(26)13-18(22)16-8-3-2-4-9-16/h2-5,7-9,11,17-18H,6,10,12-14,22H2,1H3,(H,23,24,27)
InChIKeyIUQLQRNNNNEDFV-UHFFFAOYSA-N
MW366.47 g/mol
LogP2.66
Rot. Bonds5

About 1-(3-amino-3-phenylpropanoyl)-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide

1-(3-amino-3-phenylpropanoyl)-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide (PubChem CID 119953217) has the molecular formula C21H26N4O2 and a molecular weight of 366.47 g/mol. Its IUPAC name is 1-(3-amino-3-phenylpropanoyl)-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(3-amino-3-phenylpropanoyl)-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide
PubChem CID119953217
Molecular FormulaC21H26N4O2
Molecular Weight366.47 g/mol
Exact Mass366.21
IUPAC Name1-(3-amino-3-phenylpropanoyl)-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide
SMILESCc1cccc(NC(=O)C2CCCN(C(=O)CC(N)c3ccccc3)C2)n1
InChIInChI=1S/C21H26N4O2/c1-15-7-5-11-19(23-15)24-21(27)17-10-6-12-25(14-17)20(26)13-18(22)16-8-3-2-4-9-16/h2-5,7-9,11,17-18H,6,10,12-14,22H2,1H3,(H,23,24,27)
InChIKeyIUQLQRNNNNEDFV-UHFFFAOYSA-N
XLogP2.66
TPSA88.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.47
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-amino-2-methylbutanoyl)-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide;dihydrochloride
CID 120503103
(3R)-1-(3-amino-3-phenylpropanoyl)piperidine-3-carboxylic acid
CID 81120276
(3R)-N-(6-methyl-2-pyridinyl)-1-(2-prop-2-enylsulfanylacetyl)piperidine-3-carboxamide
CID 94638795
(3R)-1-(3-ethylsulfanylpropanoyl)-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide
CID 94638806
N-(6-methyl-2-pyridinyl)-1-(2-prop-2-enylsulfanylacetyl)piperidine-3-carboxamide
CID 51092310
1-(2-chlorobenzoyl)-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide
CID 55813036
(3S)-1-(3,3-diphenylpropanoyl)-N-phenylpiperidine-3-carboxamide
CID 27745627
1-[4-(aminomethyl)benzoyl]-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide;dihydrochloride
CID 119855077
tert-butyl 3-[(6-methyl-2-pyridinyl)carbamoyl]piperidine-1-carboxylate
CID 18107272
1-(2-tert-butyl-1,3-thiazole-5-carbonyl)-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide
CID 47892218
(3R)-N-(6-methyl-2-pyridinyl)-1-[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]piperidine-3-carboxamide
CID 95141951
N-(6-methyl-2-pyridinyl)-1-(piperidine-4-carbonyl)piperidine-3-carboxamide
CID 119855048

Frequently Asked Questions

What is the IUPAC name of 1-(3-amino-3-phenylpropanoyl)-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide?
The IUPAC name of 1-(3-amino-3-phenylpropanoyl)-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide (CID 119953217) is 1-(3-amino-3-phenylpropanoyl)-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide.
What is the SMILES notation for 1-(3-amino-3-phenylpropanoyl)-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide?
The canonical SMILES for 1-(3-amino-3-phenylpropanoyl)-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide is Cc1cccc(NC(=O)C2CCCN(C(=O)CC(N)c3ccccc3)C2)n1.
What is the InChIKey of 1-(3-amino-3-phenylpropanoyl)-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide?
The InChIKey is IUQLQRNNNNEDFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O2/c1-15-7-5-11-19(23-15)24-21(27)17-10-6-12-25(14-17)20(26)13-18(22)16-8-3-2-4-9-16/h2-5,7-9,11,17-18H,6,10,12-14,22H2,1H3,(H,23,24,27).
What are the key properties of 1-(3-amino-3-phenylpropanoyl)-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide?
1-(3-amino-3-phenylpropanoyl)-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide has a molecular weight of 366.47 g/mol, XLogP of 2.66, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-amino-3-phenylpropanoyl)-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide is sourced from PubChem (CID 119953217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).