(3R)-1-(2-methylpropanoyl)-N-[(1S)-1-pyridin-2-ylethyl]piperidine-3-carboxamide

C17H25N3O2 — CID 94091157

IUPAC(3R)-1-(2-methylpropanoyl)-N-[(1S)-1-pyridin-2-ylethyl]piperidine-3-carboxamide
SMILESCC(C)C(=O)N1CCC[C@@H](C(=O)N[C@@H](C)c2ccccn2)C1
InChIInChI=1S/C17H25N3O2/c1-12(2)17(22)20-10-6-7-14(11-20)16(21)19-13(3)15-8-4-5-9-18-15/h4-5,8-9,12-14H,6-7,10-11H2,1-3H3,(H,19,21)/t13-,14+/m0/s1
InChIKeyKLLSPZOGBVUQJE-UONOGXRCSA-N
MW303.41 g/mol
LogP2.15
Rot. Bonds4

About (3R)-1-(2-methylpropanoyl)-N-[(1S)-1-pyridin-2-ylethyl]piperidine-3-carboxamide

(3R)-1-(2-methylpropanoyl)-N-[(1S)-1-pyridin-2-ylethyl]piperidine-3-carboxamide (PubChem CID 94091157) has the molecular formula C17H25N3O2 and a molecular weight of 303.41 g/mol. Its IUPAC name is (3R)-1-(2-methylpropanoyl)-N-[(1S)-1-pyridin-2-ylethyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-(2-methylpropanoyl)-N-[(1S)-1-pyridin-2-ylethyl]piperidine-3-carboxamide
PubChem CID94091157
Molecular FormulaC17H25N3O2
Molecular Weight303.41 g/mol
Exact Mass303.19
IUPAC Name(3R)-1-(2-methylpropanoyl)-N-[(1S)-1-pyridin-2-ylethyl]piperidine-3-carboxamide
SMILESCC(C)C(=O)N1CCC[C@@H](C(=O)N[C@@H](C)c2ccccn2)C1
InChIInChI=1S/C17H25N3O2/c1-12(2)17(22)20-10-6-7-14(11-20)16(21)19-13(3)15-8-4-5-9-18-15/h4-5,8-9,12-14H,6-7,10-11H2,1-3H3,(H,19,21)/t13-,14+/m0/s1
InChIKeyKLLSPZOGBVUQJE-UONOGXRCSA-N
XLogP2.15
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1S)-1-pyridin-2-ylethyl]cyclohexanecarboxamide
CID 92852511
N-(1-pyridin-2-ylethyl)piperidine-1-carboxamide
CID 113221669
(3R)-1-(6-chloropyridazin-3-yl)-N-[(1R)-1-pyridin-2-ylethyl]piperidine-3-carboxamide
CID 51983822
2-[1-(2-methylpropanoyl)piperidin-4-yl]-N-[(1R)-1-pyridin-2-ylethyl]acetamide
CID 92634096
(3S)-N-[(1R)-1-pyridin-2-ylethyl]piperidine-3-carboxamide
CID 81407106
1-(5-bromothiophen-2-yl)sulfonyl-N-(1-pyridin-2-ylethyl)piperidine-3-carboxamide
CID 24645564
(3R)-1-[(3-fluorophenyl)methyl]-N-[(1R)-1-pyridin-2-ylethyl]piperidine-3-carboxamide
CID 95234307
(3R)-3-acetamido-N-[(1R)-1-pyridin-2-ylethyl]piperidine-1-carboxamide
CID 95152686
ethyl 4-[[(1S)-1-pyridin-2-ylethyl]carbamoyl]piperidine-1-carboxylate
CID 35939336
N-[2-oxo-2-[[(1R)-1-pyridin-2-ylethyl]amino]ethyl]cyclohexanecarboxamide
CID 92829486
1-(benzenesulfonyl)-N-(1-pyridin-2-ylethyl)piperidine-2-carboxamide
CID 55334760
3-amino-N-[(1S)-1-pyridin-2-ylethyl]cyclopentane-1-carboxamide
CID 81407435

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(2-methylpropanoyl)-N-[(1S)-1-pyridin-2-ylethyl]piperidine-3-carboxamide?
The IUPAC name of (3R)-1-(2-methylpropanoyl)-N-[(1S)-1-pyridin-2-ylethyl]piperidine-3-carboxamide (CID 94091157) is (3R)-1-(2-methylpropanoyl)-N-[(1S)-1-pyridin-2-ylethyl]piperidine-3-carboxamide.
What is the SMILES notation for (3R)-1-(2-methylpropanoyl)-N-[(1S)-1-pyridin-2-ylethyl]piperidine-3-carboxamide?
The canonical SMILES for (3R)-1-(2-methylpropanoyl)-N-[(1S)-1-pyridin-2-ylethyl]piperidine-3-carboxamide is CC(C)C(=O)N1CCC[C@@H](C(=O)N[C@@H](C)c2ccccn2)C1.
What is the InChIKey of (3R)-1-(2-methylpropanoyl)-N-[(1S)-1-pyridin-2-ylethyl]piperidine-3-carboxamide?
The InChIKey is KLLSPZOGBVUQJE-UONOGXRCSA-N. The full InChI is InChI=1S/C17H25N3O2/c1-12(2)17(22)20-10-6-7-14(11-20)16(21)19-13(3)15-8-4-5-9-18-15/h4-5,8-9,12-14H,6-7,10-11H2,1-3H3,(H,19,21)/t13-,14+/m0/s1.
What are the key properties of (3R)-1-(2-methylpropanoyl)-N-[(1S)-1-pyridin-2-ylethyl]piperidine-3-carboxamide?
(3R)-1-(2-methylpropanoyl)-N-[(1S)-1-pyridin-2-ylethyl]piperidine-3-carboxamide has a molecular weight of 303.41 g/mol, XLogP of 2.15, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(2-methylpropanoyl)-N-[(1S)-1-pyridin-2-ylethyl]piperidine-3-carboxamide is sourced from PubChem (CID 94091157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).