[2-[(3S)-3-(2-phenylethyl)piperidin-1-yl]-3-pyridinyl]-piperidin-1-ylmethanone

C24H31N3O — CID 95873638

IUPAC[2-[(3S)-3-(2-phenylethyl)piperidin-1-yl]-3-pyridinyl]-piperidin-1-ylmethanone
SMILESO=C(c1cccnc1N1CCC[C@H](CCc2ccccc2)C1)N1CCCCC1
InChIInChI=1S/C24H31N3O/c28-24(26-16-5-2-6-17-26)22-12-7-15-25-23(22)27-18-8-11-21(19-27)14-13-20-9-3-1-4-10-20/h1,3-4,7,9-10,12,15,21H,2,5-6,8,11,13-14,16-19H2/t21-/m1/s1
InChIKeyZZSPISZJWQOOMC-OAQYLSRUSA-N
MW377.53 g/mol
LogP4.56
Rot. Bonds5

About [2-[(3S)-3-(2-phenylethyl)piperidin-1-yl]-3-pyridinyl]-piperidin-1-ylmethanone

[2-[(3S)-3-(2-phenylethyl)piperidin-1-yl]-3-pyridinyl]-piperidin-1-ylmethanone (PubChem CID 95873638) has the molecular formula C24H31N3O and a molecular weight of 377.53 g/mol. Its IUPAC name is [2-[(3S)-3-(2-phenylethyl)piperidin-1-yl]-3-pyridinyl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[2-[(3S)-3-(2-phenylethyl)piperidin-1-yl]-3-pyridinyl]-piperidin-1-ylmethanone
PubChem CID95873638
Molecular FormulaC24H31N3O
Molecular Weight377.53 g/mol
Exact Mass377.25
IUPAC Name[2-[(3S)-3-(2-phenylethyl)piperidin-1-yl]-3-pyridinyl]-piperidin-1-ylmethanone
SMILESO=C(c1cccnc1N1CCC[C@H](CCc2ccccc2)C1)N1CCCCC1
InChIInChI=1S/C24H31N3O/c28-24(26-16-5-2-6-17-26)22-12-7-15-25-23(22)27-18-8-11-21(19-27)14-13-20-9-3-1-4-10-20/h1,3-4,7,9-10,12,15,21H,2,5-6,8,11,13-14,16-19H2/t21-/m1/s1
InChIKeyZZSPISZJWQOOMC-OAQYLSRUSA-N
XLogP4.56
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.53
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze [2-[(3S)-3-(2-phenylethyl)piperidin-1-yl]-3-pyridinyl]-piperidin-1-ylmethanone with MolForge

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Related Compounds

[2-(4-benzylpiperidin-1-yl)-3-pyridinyl]-pyrrolidin-1-ylmethanone
CID 1441062
2-[3-(hydroxymethyl)piperidin-1-yl]pyridine-3-carboxylic acid
CID 43403358
(3-methylpiperidin-1-yl)-(2-piperidin-1-yl-3-pyridinyl)methanone
CID 84576155
2-(3-ethylpiperidin-1-yl)pyridine-3-carboxylic acid
CID 43430341
2-[(3S)-3-[2-(2-fluorophenyl)ethyl]piperidin-1-yl]pyridine-3-carboxamide
CID 95869834
[3-(2-hydroxyethyl)piperidin-1-yl]-[2-(2-phenylethylsulfanyl)-3-pyridinyl]methanone
CID 24964973
2-[(3R)-3-[2-(2-fluorophenyl)ethyl]piperidin-1-yl]pyridine-3-carboxamide
CID 95869833
(4-phenylpiperazin-1-yl)-(2-pyrrolidin-1-yl-3-pyridinyl)methanone
CID 8934171
2-(3-aminopiperidin-1-yl)pyridine-3-carboxylic acid
CID 61403945
phenyl-[4-(2-pyrrolidin-1-ylpyridine-3-carbonyl)piperazin-1-yl]methanone
CID 78806153
[(3S)-3-(2-phenylethyl)piperidin-1-yl]-pyridin-3-ylmethanone
CID 26392215
5-methyl-1-(2-pyrrolidin-1-ylpyridine-3-carbonyl)piperidine-3-carboxylic acid
CID 122117997

Frequently Asked Questions

What is the IUPAC name of [2-[(3S)-3-(2-phenylethyl)piperidin-1-yl]-3-pyridinyl]-piperidin-1-ylmethanone?
The IUPAC name of [2-[(3S)-3-(2-phenylethyl)piperidin-1-yl]-3-pyridinyl]-piperidin-1-ylmethanone (CID 95873638) is [2-[(3S)-3-(2-phenylethyl)piperidin-1-yl]-3-pyridinyl]-piperidin-1-ylmethanone.
What is the SMILES notation for [2-[(3S)-3-(2-phenylethyl)piperidin-1-yl]-3-pyridinyl]-piperidin-1-ylmethanone?
The canonical SMILES for [2-[(3S)-3-(2-phenylethyl)piperidin-1-yl]-3-pyridinyl]-piperidin-1-ylmethanone is O=C(c1cccnc1N1CCC[C@H](CCc2ccccc2)C1)N1CCCCC1.
What is the InChIKey of [2-[(3S)-3-(2-phenylethyl)piperidin-1-yl]-3-pyridinyl]-piperidin-1-ylmethanone?
The InChIKey is ZZSPISZJWQOOMC-OAQYLSRUSA-N. The full InChI is InChI=1S/C24H31N3O/c28-24(26-16-5-2-6-17-26)22-12-7-15-25-23(22)27-18-8-11-21(19-27)14-13-20-9-3-1-4-10-20/h1,3-4,7,9-10,12,15,21H,2,5-6,8,11,13-14,16-19H2/t21-/m1/s1.
What are the key properties of [2-[(3S)-3-(2-phenylethyl)piperidin-1-yl]-3-pyridinyl]-piperidin-1-ylmethanone?
[2-[(3S)-3-(2-phenylethyl)piperidin-1-yl]-3-pyridinyl]-piperidin-1-ylmethanone has a molecular weight of 377.53 g/mol, XLogP of 4.56, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(3S)-3-(2-phenylethyl)piperidin-1-yl]-3-pyridinyl]-piperidin-1-ylmethanone is sourced from PubChem (CID 95873638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).