(3S)-N-methyl-1-(2-phenylacetyl)-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide

C21H25N3O2 — CID 51939813

IUPAC(3S)-N-methyl-1-(2-phenylacetyl)-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide
SMILESCN(Cc1cccnc1)C(=O)[C@H]1CCCN(C(=O)Cc2ccccc2)C1
InChIInChI=1S/C21H25N3O2/c1-23(15-18-9-5-11-22-14-18)21(26)19-10-6-12-24(16-19)20(25)13-17-7-3-2-4-8-17/h2-5,7-9,11,14,19H,6,10,12-13,15-16H2,1H3/t19-/m0/s1
InChIKeyKCBDLYMCOYNHHC-IBGZPJMESA-N
MW351.45 g/mol
LogP2.52
Rot. Bonds5

About (3S)-N-methyl-1-(2-phenylacetyl)-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide

(3S)-N-methyl-1-(2-phenylacetyl)-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide (PubChem CID 51939813) has the molecular formula C21H25N3O2 and a molecular weight of 351.45 g/mol. Its IUPAC name is (3S)-N-methyl-1-(2-phenylacetyl)-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-methyl-1-(2-phenylacetyl)-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide
PubChem CID51939813
Molecular FormulaC21H25N3O2
Molecular Weight351.45 g/mol
Exact Mass351.19
IUPAC Name(3S)-N-methyl-1-(2-phenylacetyl)-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide
SMILESCN(Cc1cccnc1)C(=O)[C@H]1CCCN(C(=O)Cc2ccccc2)C1
InChIInChI=1S/C21H25N3O2/c1-23(15-18-9-5-11-22-14-18)21(26)19-10-6-12-24(16-19)20(25)13-17-7-3-2-4-8-17/h2-5,7-9,11,14,19H,6,10,12-13,15-16H2,1H3/t19-/m0/s1
InChIKeyKCBDLYMCOYNHHC-IBGZPJMESA-N
XLogP2.52
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-acetyl-N-benzyl-N-methylpiperidine-3-carboxamide
CID 110686080
N-cycloheptyl-N-methyl-1-(2-phenylacetyl)piperidine-3-carboxamide
CID 55607775
(3S)-1-(2-phenylacetyl)-N-pyridin-3-ylpiperidine-3-carboxamide
CID 51937770
N-methyl-N-(pyridin-3-ylmethyl)-1-[1-(pyridin-3-ylmethyl)piperidin-4-yl]piperidine-3-carboxamide
CID 70776101
1-[3-(methylaminomethyl)piperidin-1-yl]-2-pyridin-3-ylethanone
CID 62691421
N-[[4-(dimethylamino)phenyl]methyl]-N-ethyl-1-(2-phenylacetyl)piperidine-3-carboxamide
CID 55629106
1-benzyl-N-methyl-5-oxo-N-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide
CID 78770918
1-[2-[N-(pyridin-3-ylmethyl)anilino]acetyl]pyrrolidine-3-carboxylic acid
CID 119354787
1-[(3S)-3-methylpiperidin-1-yl]-2-phenylethanone
CID 668860
N-methyl-2-phenyl-N-(pyridin-3-ylmethyl)acetamide
CID 110724689
N-methyl-1-(2-phenylacetyl)-N-(3-propan-2-ylphenyl)piperidine-3-carboxamide
CID 60586831
(3S,4S)-4-methyl-1-[1-(2-phenylacetyl)piperidine-3-carbonyl]pyrrolidine-3-carboxylic acid
CID 120952273

Frequently Asked Questions

What is the IUPAC name of (3S)-N-methyl-1-(2-phenylacetyl)-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide?
The IUPAC name of (3S)-N-methyl-1-(2-phenylacetyl)-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide (CID 51939813) is (3S)-N-methyl-1-(2-phenylacetyl)-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide.
What is the SMILES notation for (3S)-N-methyl-1-(2-phenylacetyl)-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide?
The canonical SMILES for (3S)-N-methyl-1-(2-phenylacetyl)-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide is CN(Cc1cccnc1)C(=O)[C@H]1CCCN(C(=O)Cc2ccccc2)C1.
What is the InChIKey of (3S)-N-methyl-1-(2-phenylacetyl)-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide?
The InChIKey is KCBDLYMCOYNHHC-IBGZPJMESA-N. The full InChI is InChI=1S/C21H25N3O2/c1-23(15-18-9-5-11-22-14-18)21(26)19-10-6-12-24(16-19)20(25)13-17-7-3-2-4-8-17/h2-5,7-9,11,14,19H,6,10,12-13,15-16H2,1H3/t19-/m0/s1.
What are the key properties of (3S)-N-methyl-1-(2-phenylacetyl)-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide?
(3S)-N-methyl-1-(2-phenylacetyl)-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide has a molecular weight of 351.45 g/mol, XLogP of 2.52, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-methyl-1-(2-phenylacetyl)-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide is sourced from PubChem (CID 51939813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).