1-(2-amino-3-phenylpropanoyl)-N-(5-methyl-2-pyridinyl)piperidine-3-carboxamide;dihydrochloride

C21H28Cl2N4O2 — CID 119855211

IUPAC1-(2-amino-3-phenylpropanoyl)-N-(5-methyl-2-pyridinyl)piperidine-3-carboxamide;dihydrochloride
SMILESCc1ccc(NC(=O)C2CCCN(C(=O)C(N)Cc3ccccc3)C2)nc1.Cl.Cl
InChIInChI=1S/C21H26N4O2.2ClH/c1-15-9-10-19(23-13-15)24-20(26)17-8-5-11-25(14-17)21(27)18(22)12-16-6-3-2-4-7-16;;/h2-4,6-7,9-10,13,17-18H,5,8,11-12,14,22H2,1H3,(H,23,24,26);2*1H
InChIKeyGBABUGMKGWKXJL-UHFFFAOYSA-N
MW439.39 g/mol
LogP2.98
Rot. Bonds5

About 1-(2-amino-3-phenylpropanoyl)-N-(5-methyl-2-pyridinyl)piperidine-3-carboxamide;dihydrochloride

1-(2-amino-3-phenylpropanoyl)-N-(5-methyl-2-pyridinyl)piperidine-3-carboxamide;dihydrochloride (PubChem CID 119855211) has the molecular formula C21H28Cl2N4O2 and a molecular weight of 439.39 g/mol. Its IUPAC name is 1-(2-amino-3-phenylpropanoyl)-N-(5-methyl-2-pyridinyl)piperidine-3-carboxamide;dihydrochloride.

Molecular Properties

Compound Name1-(2-amino-3-phenylpropanoyl)-N-(5-methyl-2-pyridinyl)piperidine-3-carboxamide;dihydrochloride
PubChem CID119855211
Molecular FormulaC21H28Cl2N4O2
Molecular Weight439.39 g/mol
Exact Mass438.16
IUPAC Name1-(2-amino-3-phenylpropanoyl)-N-(5-methyl-2-pyridinyl)piperidine-3-carboxamide;dihydrochloride
SMILESCc1ccc(NC(=O)C2CCCN(C(=O)C(N)Cc3ccccc3)C2)nc1.Cl.Cl
InChIInChI=1S/C21H26N4O2.2ClH/c1-15-9-10-19(23-13-15)24-20(26)17-8-5-11-25(14-17)21(27)18(22)12-16-6-3-2-4-7-16;;/h2-4,6-7,9-10,13,17-18H,5,8,11-12,14,22H2,1H3,(H,23,24,26);2*1H
InChIKeyGBABUGMKGWKXJL-UHFFFAOYSA-N
XLogP2.98
TPSA88.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.39
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-amino-3-phenylpropanoyl)-N-(cyclopropylmethyl)piperidine-3-carboxamide
CID 119289778
3-N-(5-methyl-2-pyridinyl)-1-N-(pyridin-3-ylmethyl)piperidine-1,3-dicarboxamide
CID 51122140
(3S)-N-(5-methyl-2-pyridinyl)-1-(naphthalene-2-carbonyl)piperidine-3-carboxamide
CID 51959952
4-[[3-[(5-methyl-2-pyridinyl)carbamoyl]piperidine-1-carbonyl]amino]butanoic acid
CID 122021540
1-[1-[2-(4-fluorophenyl)acetyl]piperidine-3-carbonyl]-N-(5-methyl-2-pyridinyl)piperidine-3-carboxamide
CID 55809799
N-(5-methyl-2-pyridinyl)-1-(4-oxo-3H-phthalazine-1-carbonyl)piperidine-3-carboxamide
CID 154834464
1-(5-amino-2-methylbenzoyl)-N-(5-methyl-2-pyridinyl)piperidine-3-carboxamide
CID 120643645
1-(2-amino-3-phenylpropanoyl)-N-phenylpiperidine-4-carboxamide;hydrochloride
CID 119272890
(3R)-N-(5-methyl-2-pyridinyl)-1-[(5R)-5-phenyl-4,5-dihydro-1,2-oxazole-3-carbonyl]piperidine-3-carboxamide
CID 94606951
1-(2-ethoxypyridine-3-carbonyl)-N-(5-methyl-2-pyridinyl)piperidine-3-carboxamide
CID 55810089
1-[1-(3-methylphenyl)cyclopropanecarbonyl]-N-(5-methyl-2-pyridinyl)piperidine-3-carboxamide
CID 138996832
N-[1-[(2S)-2-amino-3-phenylpropanoyl]piperidin-3-yl]butanamide;hydrochloride
CID 119310793

Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-3-phenylpropanoyl)-N-(5-methyl-2-pyridinyl)piperidine-3-carboxamide;dihydrochloride?
The IUPAC name of 1-(2-amino-3-phenylpropanoyl)-N-(5-methyl-2-pyridinyl)piperidine-3-carboxamide;dihydrochloride (CID 119855211) is 1-(2-amino-3-phenylpropanoyl)-N-(5-methyl-2-pyridinyl)piperidine-3-carboxamide;dihydrochloride.
What is the SMILES notation for 1-(2-amino-3-phenylpropanoyl)-N-(5-methyl-2-pyridinyl)piperidine-3-carboxamide;dihydrochloride?
The canonical SMILES for 1-(2-amino-3-phenylpropanoyl)-N-(5-methyl-2-pyridinyl)piperidine-3-carboxamide;dihydrochloride is Cc1ccc(NC(=O)C2CCCN(C(=O)C(N)Cc3ccccc3)C2)nc1.Cl.Cl.
What is the InChIKey of 1-(2-amino-3-phenylpropanoyl)-N-(5-methyl-2-pyridinyl)piperidine-3-carboxamide;dihydrochloride?
The InChIKey is GBABUGMKGWKXJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O2.2ClH/c1-15-9-10-19(23-13-15)24-20(26)17-8-5-11-25(14-17)21(27)18(22)12-16-6-3-2-4-7-16;;/h2-4,6-7,9-10,13,17-18H,5,8,11-12,14,22H2,1H3,(H,23,24,26);2*1H.
What are the key properties of 1-(2-amino-3-phenylpropanoyl)-N-(5-methyl-2-pyridinyl)piperidine-3-carboxamide;dihydrochloride?
1-(2-amino-3-phenylpropanoyl)-N-(5-methyl-2-pyridinyl)piperidine-3-carboxamide;dihydrochloride has a molecular weight of 439.39 g/mol, XLogP of 2.98, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-3-phenylpropanoyl)-N-(5-methyl-2-pyridinyl)piperidine-3-carboxamide;dihydrochloride is sourced from PubChem (CID 119855211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).