2-[5-[(2S)-1-(2-phenylacetyl)piperidin-2-yl]-3,6-dihydro-2H-pyridin-1-yl]acetamide

C20H27N3O2 — CID 95230024

IUPAC2-[5-[(2S)-1-(2-phenylacetyl)piperidin-2-yl]-3,6-dihydro-2H-pyridin-1-yl]acetamide
SMILESNC(=O)CN1CCC=C([C@@H]2CCCCN2C(=O)Cc2ccccc2)C1
InChIInChI=1S/C20H27N3O2/c21-19(24)15-22-11-6-9-17(14-22)18-10-4-5-12-23(18)20(25)13-16-7-2-1-3-8-16/h1-3,7-9,18H,4-6,10-15H2,(H2,21,24)/t18-/m0/s1
InChIKeyJAHJGHIQYZQGFG-SFHVURJKSA-N
MW341.45 g/mol
LogP1.73
Rot. Bonds5

About 2-[5-[(2S)-1-(2-phenylacetyl)piperidin-2-yl]-3,6-dihydro-2H-pyridin-1-yl]acetamide

2-[5-[(2S)-1-(2-phenylacetyl)piperidin-2-yl]-3,6-dihydro-2H-pyridin-1-yl]acetamide (PubChem CID 95230024) has the molecular formula C20H27N3O2 and a molecular weight of 341.45 g/mol. Its IUPAC name is 2-[5-[(2S)-1-(2-phenylacetyl)piperidin-2-yl]-3,6-dihydro-2H-pyridin-1-yl]acetamide.

Molecular Properties

Compound Name2-[5-[(2S)-1-(2-phenylacetyl)piperidin-2-yl]-3,6-dihydro-2H-pyridin-1-yl]acetamide
PubChem CID95230024
Molecular FormulaC20H27N3O2
Molecular Weight341.45 g/mol
Exact Mass341.21
IUPAC Name2-[5-[(2S)-1-(2-phenylacetyl)piperidin-2-yl]-3,6-dihydro-2H-pyridin-1-yl]acetamide
SMILESNC(=O)CN1CCC=C([C@@H]2CCCCN2C(=O)Cc2ccccc2)C1
InChIInChI=1S/C20H27N3O2/c21-19(24)15-22-11-6-9-17(14-22)18-10-4-5-12-23(18)20(25)13-16-7-2-1-3-8-16/h1-3,7-9,18H,4-6,10-15H2,(H2,21,24)/t18-/m0/s1
InChIKeyJAHJGHIQYZQGFG-SFHVURJKSA-N
XLogP1.73
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.45
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-[2-[1-(3-phenylpropyl)-3,6-dihydro-2H-pyridin-5-yl]piperidin-1-yl]ethanone
CID 50978475
1-[(2R)-2-[1-(3-phenylpropyl)-3,6-dihydro-2H-pyridin-5-yl]piperidin-1-yl]ethanone
CID 95141511
1-[(2R)-2-[1-[(E)-3-phenylprop-2-enyl]-3,6-dihydro-2H-pyridin-5-yl]piperidin-1-yl]ethanone
CID 95132641
1-[(2R)-2-(5-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)pyrrolidin-1-yl]-2-phenylethanone
CID 124888269
1-[2-(7-methyl-5,6,8,9-tetrahydro-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-yl)pyrrolidin-1-yl]-2-phenylethanone
CID 110268524
1-[2-[1-(2-ethylsulfanylethyl)-3,6-dihydro-2H-pyridin-5-yl]piperidin-1-yl]ethanone
CID 50973903
1-[2-(6-benzyl-2-pyridinyl)pyrrolidin-1-yl]-2-phenylethanone
CID 110254483
2-phenyl-1-[2-(3-phenylprop-2-enyl)piperidin-1-yl]ethanone
CID 54418313
2-(4-benzylpiperidin-1-yl)acetamide
CID 6465422
1-[(2S)-2-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)pyrrolidin-1-yl]-2-phenylethanone
CID 9188175
N-hydroxy-3-[4-[1-(2-phenylacetyl)pyrrolidin-2-yl]phenyl]prop-2-enamide
CID 76728695
N-benzyl-4-methyl-2-[(2S)-1-(2-phenylacetyl)piperidin-2-yl]pyrimidine-5-carboxamide
CID 92639623

Frequently Asked Questions

What is the IUPAC name of 2-[5-[(2S)-1-(2-phenylacetyl)piperidin-2-yl]-3,6-dihydro-2H-pyridin-1-yl]acetamide?
The IUPAC name of 2-[5-[(2S)-1-(2-phenylacetyl)piperidin-2-yl]-3,6-dihydro-2H-pyridin-1-yl]acetamide (CID 95230024) is 2-[5-[(2S)-1-(2-phenylacetyl)piperidin-2-yl]-3,6-dihydro-2H-pyridin-1-yl]acetamide.
What is the SMILES notation for 2-[5-[(2S)-1-(2-phenylacetyl)piperidin-2-yl]-3,6-dihydro-2H-pyridin-1-yl]acetamide?
The canonical SMILES for 2-[5-[(2S)-1-(2-phenylacetyl)piperidin-2-yl]-3,6-dihydro-2H-pyridin-1-yl]acetamide is NC(=O)CN1CCC=C([C@@H]2CCCCN2C(=O)Cc2ccccc2)C1.
What is the InChIKey of 2-[5-[(2S)-1-(2-phenylacetyl)piperidin-2-yl]-3,6-dihydro-2H-pyridin-1-yl]acetamide?
The InChIKey is JAHJGHIQYZQGFG-SFHVURJKSA-N. The full InChI is InChI=1S/C20H27N3O2/c21-19(24)15-22-11-6-9-17(14-22)18-10-4-5-12-23(18)20(25)13-16-7-2-1-3-8-16/h1-3,7-9,18H,4-6,10-15H2,(H2,21,24)/t18-/m0/s1.
What are the key properties of 2-[5-[(2S)-1-(2-phenylacetyl)piperidin-2-yl]-3,6-dihydro-2H-pyridin-1-yl]acetamide?
2-[5-[(2S)-1-(2-phenylacetyl)piperidin-2-yl]-3,6-dihydro-2H-pyridin-1-yl]acetamide has a molecular weight of 341.45 g/mol, XLogP of 1.73, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[(2S)-1-(2-phenylacetyl)piperidin-2-yl]-3,6-dihydro-2H-pyridin-1-yl]acetamide is sourced from PubChem (CID 95230024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).