N-(6-amino-3-pyridinyl)-1-(3-phenylpropanoyl)piperidine-4-carboxamide

C20H24N4O2 — CID 119514987

IUPACN-(6-amino-3-pyridinyl)-1-(3-phenylpropanoyl)piperidine-4-carboxamide
SMILESNc1ccc(NC(=O)C2CCN(C(=O)CCc3ccccc3)CC2)cn1
InChIInChI=1S/C20H24N4O2/c21-18-8-7-17(14-22-18)23-20(26)16-10-12-24(13-11-16)19(25)9-6-15-4-2-1-3-5-15/h1-5,7-8,14,16H,6,9-13H2,(H2,21,22)(H,23,26)
InChIKeyBYUCKSMWBKDQGA-UHFFFAOYSA-N
MW352.44 g/mol
LogP2.47
Rot. Bonds5

About N-(6-amino-3-pyridinyl)-1-(3-phenylpropanoyl)piperidine-4-carboxamide

N-(6-amino-3-pyridinyl)-1-(3-phenylpropanoyl)piperidine-4-carboxamide (PubChem CID 119514987) has the molecular formula C20H24N4O2 and a molecular weight of 352.44 g/mol. Its IUPAC name is N-(6-amino-3-pyridinyl)-1-(3-phenylpropanoyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(6-amino-3-pyridinyl)-1-(3-phenylpropanoyl)piperidine-4-carboxamide
PubChem CID119514987
Molecular FormulaC20H24N4O2
Molecular Weight352.44 g/mol
Exact Mass352.19
IUPAC NameN-(6-amino-3-pyridinyl)-1-(3-phenylpropanoyl)piperidine-4-carboxamide
SMILESNc1ccc(NC(=O)C2CCN(C(=O)CCc3ccccc3)CC2)cn1
InChIInChI=1S/C20H24N4O2/c21-18-8-7-17(14-22-18)23-20(26)16-10-12-24(13-11-16)19(25)9-6-15-4-2-1-3-5-15/h1-5,7-8,14,16H,6,9-13H2,(H2,21,22)(H,23,26)
InChIKeyBYUCKSMWBKDQGA-UHFFFAOYSA-N
XLogP2.47
TPSA88.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.44
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(6-amino-3-pyridinyl)-1-benzoylpiperidine-4-carboxamide;hydrochloride
CID 119516000
1-(3-phenylpropanoyl)piperidine-4-carbohydrazide
CID 54794050
N-(3-methylphenyl)-1-(3-phenylpropanoyl)piperidine-4-carboxamide
CID 113006134
3-[[1-(3-phenylpropanoyl)piperidine-4-carbonyl]amino]propanoic acid
CID 119177469
N-(4-methyl-2-pyridinyl)-1-(3-phenylpropanoyl)piperidine-4-carboxamide
CID 46411285
N-(2-benzylpyrazol-3-yl)-1-(3-phenylpropanoyl)piperidine-4-carboxamide
CID 55631067
N-(6-amino-3-pyridinyl)-1-ethylsulfonylpiperidine-4-carboxamide;hydrochloride
CID 119516492
N-[1-(3-phenylpropanoyl)piperidin-4-yl]cyclopropanecarboxamide
CID 110820836
1-(3-phenylpropanoyl)-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide
CID 46411181
ethyl N-[[1-(3-phenylpropanoyl)piperidine-4-carbonyl]amino]carbamate
CID 46411072
1-(3-phenylpropanoyl)piperidine-4-carboxylate
CID 6930824
N-(6-amino-3-pyridinyl)-1-benzoylpiperidine-3-carboxamide
CID 119516397

Frequently Asked Questions

What is the IUPAC name of N-(6-amino-3-pyridinyl)-1-(3-phenylpropanoyl)piperidine-4-carboxamide?
The IUPAC name of N-(6-amino-3-pyridinyl)-1-(3-phenylpropanoyl)piperidine-4-carboxamide (CID 119514987) is N-(6-amino-3-pyridinyl)-1-(3-phenylpropanoyl)piperidine-4-carboxamide.
What is the SMILES notation for N-(6-amino-3-pyridinyl)-1-(3-phenylpropanoyl)piperidine-4-carboxamide?
The canonical SMILES for N-(6-amino-3-pyridinyl)-1-(3-phenylpropanoyl)piperidine-4-carboxamide is Nc1ccc(NC(=O)C2CCN(C(=O)CCc3ccccc3)CC2)cn1.
What is the InChIKey of N-(6-amino-3-pyridinyl)-1-(3-phenylpropanoyl)piperidine-4-carboxamide?
The InChIKey is BYUCKSMWBKDQGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O2/c21-18-8-7-17(14-22-18)23-20(26)16-10-12-24(13-11-16)19(25)9-6-15-4-2-1-3-5-15/h1-5,7-8,14,16H,6,9-13H2,(H2,21,22)(H,23,26).
What are the key properties of N-(6-amino-3-pyridinyl)-1-(3-phenylpropanoyl)piperidine-4-carboxamide?
N-(6-amino-3-pyridinyl)-1-(3-phenylpropanoyl)piperidine-4-carboxamide has a molecular weight of 352.44 g/mol, XLogP of 2.47, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-amino-3-pyridinyl)-1-(3-phenylpropanoyl)piperidine-4-carboxamide is sourced from PubChem (CID 119514987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).