[6-[(2R)-2-methylpyrrolidin-1-yl]-3-pyridinyl]-[4-(2-phenylethyl)piperidin-1-yl]methanone

C24H31N3O — CID 95207332

IUPAC[6-[(2R)-2-methylpyrrolidin-1-yl]-3-pyridinyl]-[4-(2-phenylethyl)piperidin-1-yl]methanone
SMILESC[C@@H]1CCCN1c1ccc(C(=O)N2CCC(CCc3ccccc3)CC2)cn1
InChIInChI=1S/C24H31N3O/c1-19-6-5-15-27(19)23-12-11-22(18-25-23)24(28)26-16-13-21(14-17-26)10-9-20-7-3-2-4-8-20/h2-4,7-8,11-12,18-19,21H,5-6,9-10,13-17H2,1H3/t19-/m1/s1
InChIKeyMENFNZMMFQQMIN-LJQANCHMSA-N
MW377.53 g/mol
LogP4.56
Rot. Bonds5

About [6-[(2R)-2-methylpyrrolidin-1-yl]-3-pyridinyl]-[4-(2-phenylethyl)piperidin-1-yl]methanone

[6-[(2R)-2-methylpyrrolidin-1-yl]-3-pyridinyl]-[4-(2-phenylethyl)piperidin-1-yl]methanone (PubChem CID 95207332) has the molecular formula C24H31N3O and a molecular weight of 377.53 g/mol. Its IUPAC name is [6-[(2R)-2-methylpyrrolidin-1-yl]-3-pyridinyl]-[4-(2-phenylethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name[6-[(2R)-2-methylpyrrolidin-1-yl]-3-pyridinyl]-[4-(2-phenylethyl)piperidin-1-yl]methanone
PubChem CID95207332
Molecular FormulaC24H31N3O
Molecular Weight377.53 g/mol
Exact Mass377.25
IUPAC Name[6-[(2R)-2-methylpyrrolidin-1-yl]-3-pyridinyl]-[4-(2-phenylethyl)piperidin-1-yl]methanone
SMILESC[C@@H]1CCCN1c1ccc(C(=O)N2CCC(CCc3ccccc3)CC2)cn1
InChIInChI=1S/C24H31N3O/c1-19-6-5-15-27(19)23-12-11-22(18-25-23)24(28)26-16-13-21(14-17-26)10-9-20-7-3-2-4-8-20/h2-4,7-8,11-12,18-19,21H,5-6,9-10,13-17H2,1H3/t19-/m1/s1
InChIKeyMENFNZMMFQQMIN-LJQANCHMSA-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 [6-[(2R)-2-methylpyrrolidin-1-yl]-3-pyridinyl]-[4-(2-phenylethyl)piperidin-1-yl]methanone with MolForge

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Related Compounds

[6-(4-hydroxypiperidin-1-yl)-3-pyridinyl]-[4-(2-phenylethyl)piperidin-1-yl]methanone
CID 56750257
[6-[2-(dimethylamino)ethyl-methylamino]-3-pyridinyl]-[4-(2-phenylethyl)piperidin-1-yl]methanone
CID 56746243
[4-(2-phenylethyl)piperidin-1-yl]-(6-pyrimidin-5-yl-3-pyridinyl)methanone
CID 56917083
[6-[2-hydroxyethyl(methyl)amino]-3-pyridinyl]-[4-(2-phenylethyl)piperidin-1-yl]methanone
CID 56754313
[6-[[(2R)-1-hydroxypropan-2-yl]amino]-3-pyridinyl]-[4-(2-phenylethyl)piperidin-1-yl]methanone
CID 95227967
[6-(4-benzylpiperidin-1-yl)-3-pyridinyl]-(4-methylpiperidin-1-yl)methanone
CID 109152629
[4-(2-phenylethyl)piperidin-1-yl]-[6-(1H-pyrazol-5-yl)-3-pyridinyl]methanone
CID 56917055
N,N-dimethyl-2-[[5-[4-(2-phenylethyl)piperidine-1-carbonyl]-2-pyridinyl]amino]acetamide
CID 56749811
(4-benzylpiperidin-1-yl)-(6-piperidin-1-yl-3-pyridinyl)methanone
CID 109152306
(4-aminophenyl)-[4-(2-phenylethyl)piperidin-1-yl]methanone;hydrochloride
CID 119698759
[4-[methyl(2-phenylethyl)amino]piperidin-1-yl]-(6-pyrrol-1-yl-3-pyridinyl)methanone
CID 23285008
phenyl-[4-(3-phenylpropyl)piperidin-1-yl]methanone
CID 168948503

Frequently Asked Questions

What is the IUPAC name of [6-[(2R)-2-methylpyrrolidin-1-yl]-3-pyridinyl]-[4-(2-phenylethyl)piperidin-1-yl]methanone?
The IUPAC name of [6-[(2R)-2-methylpyrrolidin-1-yl]-3-pyridinyl]-[4-(2-phenylethyl)piperidin-1-yl]methanone (CID 95207332) is [6-[(2R)-2-methylpyrrolidin-1-yl]-3-pyridinyl]-[4-(2-phenylethyl)piperidin-1-yl]methanone.
What is the SMILES notation for [6-[(2R)-2-methylpyrrolidin-1-yl]-3-pyridinyl]-[4-(2-phenylethyl)piperidin-1-yl]methanone?
The canonical SMILES for [6-[(2R)-2-methylpyrrolidin-1-yl]-3-pyridinyl]-[4-(2-phenylethyl)piperidin-1-yl]methanone is C[C@@H]1CCCN1c1ccc(C(=O)N2CCC(CCc3ccccc3)CC2)cn1.
What is the InChIKey of [6-[(2R)-2-methylpyrrolidin-1-yl]-3-pyridinyl]-[4-(2-phenylethyl)piperidin-1-yl]methanone?
The InChIKey is MENFNZMMFQQMIN-LJQANCHMSA-N. The full InChI is InChI=1S/C24H31N3O/c1-19-6-5-15-27(19)23-12-11-22(18-25-23)24(28)26-16-13-21(14-17-26)10-9-20-7-3-2-4-8-20/h2-4,7-8,11-12,18-19,21H,5-6,9-10,13-17H2,1H3/t19-/m1/s1.
What are the key properties of [6-[(2R)-2-methylpyrrolidin-1-yl]-3-pyridinyl]-[4-(2-phenylethyl)piperidin-1-yl]methanone?
[6-[(2R)-2-methylpyrrolidin-1-yl]-3-pyridinyl]-[4-(2-phenylethyl)piperidin-1-yl]methanone 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 [6-[(2R)-2-methylpyrrolidin-1-yl]-3-pyridinyl]-[4-(2-phenylethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 95207332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).