1-[3-[1-(2-phenylethyl)piperidin-4-yl]pyrrolidin-1-yl]-2-pyridin-2-ylethanone

C24H31N3O — CID 45188532

IUPAC1-[3-[1-(2-phenylethyl)piperidin-4-yl]pyrrolidin-1-yl]-2-pyridin-2-ylethanone
SMILESO=C(Cc1ccccn1)N1CCC(C2CCN(CCc3ccccc3)CC2)C1
InChIInChI=1S/C24H31N3O/c28-24(18-23-8-4-5-13-25-23)27-17-12-22(19-27)21-10-15-26(16-11-21)14-9-20-6-2-1-3-7-20/h1-8,13,21-22H,9-12,14-19H2
InChIKeyABFZHJNBLBPCCM-UHFFFAOYSA-N
MW377.53 g/mol
LogP3.43
Rot. Bonds6

About 1-[3-[1-(2-phenylethyl)piperidin-4-yl]pyrrolidin-1-yl]-2-pyridin-2-ylethanone

1-[3-[1-(2-phenylethyl)piperidin-4-yl]pyrrolidin-1-yl]-2-pyridin-2-ylethanone (PubChem CID 45188532) has the molecular formula C24H31N3O and a molecular weight of 377.53 g/mol. Its IUPAC name is 1-[3-[1-(2-phenylethyl)piperidin-4-yl]pyrrolidin-1-yl]-2-pyridin-2-ylethanone.

Molecular Properties

Compound Name1-[3-[1-(2-phenylethyl)piperidin-4-yl]pyrrolidin-1-yl]-2-pyridin-2-ylethanone
PubChem CID45188532
Molecular FormulaC24H31N3O
Molecular Weight377.53 g/mol
Exact Mass377.25
IUPAC Name1-[3-[1-(2-phenylethyl)piperidin-4-yl]pyrrolidin-1-yl]-2-pyridin-2-ylethanone
SMILESO=C(Cc1ccccn1)N1CCC(C2CCN(CCc3ccccc3)CC2)C1
InChIInChI=1S/C24H31N3O/c28-24(18-23-8-4-5-13-25-23)27-17-12-22(19-27)21-10-15-26(16-11-21)14-9-20-6-2-1-3-7-20/h1-8,13,21-22H,9-12,14-19H2
InChIKeyABFZHJNBLBPCCM-UHFFFAOYSA-N
XLogP3.43
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.53
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[3-[1-(2-phenylethyl)piperidin-4-yl]pyrrolidin-1-yl]-(1H-pyrazol-5-yl)methanone
CID 45221954
1-[2-oxo-2-[3-[1-(2-phenylethyl)piperidin-4-yl]pyrrolidin-1-yl]ethyl]pyrrolidin-2-one
CID 45218870
1-(3-azabicyclo[3.1.0]hexan-3-yl)-2-pyridin-2-ylethanone
CID 112534802
(3-methyl-2-pyridinyl)-[4-[(3S)-1-(2-phenylethyl)pyrrolidin-3-yl]piperidin-1-yl]methanone
CID 42244536
1-(3-methylpiperidin-1-yl)-2-pyridin-2-ylethanone
CID 110696959
1-(3,4-dihydroxypyrrolidin-1-yl)-2-pyridin-2-ylethanone
CID 106671158
3-phenyl-1-[(3S)-3-(pyridin-2-ylmethyl)piperidin-1-yl]propan-1-one
CID 124971365
1-(2-pyridin-2-ylacetyl)piperidine-4-carboxamide
CID 110696934
1-[(3aS,6aR)-2-pyrimidin-2-yl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-2-pyridin-2-ylethanone
CID 97457942
(4-hydroxycyclohexyl)-[4-[(3S)-1-(2-phenylethyl)pyrrolidin-3-yl]piperidin-1-yl]methanone
CID 42287691
3-phenyl-1-[4-(2-pyridin-2-ylethyl)-1,4-diazepan-1-yl]propan-1-one
CID 71923297
N-[1-(2-phenylethyl)piperidin-3-yl]-3-pyridin-2-ylpropanamide
CID 45227413

Frequently Asked Questions

What is the IUPAC name of 1-[3-[1-(2-phenylethyl)piperidin-4-yl]pyrrolidin-1-yl]-2-pyridin-2-ylethanone?
The IUPAC name of 1-[3-[1-(2-phenylethyl)piperidin-4-yl]pyrrolidin-1-yl]-2-pyridin-2-ylethanone (CID 45188532) is 1-[3-[1-(2-phenylethyl)piperidin-4-yl]pyrrolidin-1-yl]-2-pyridin-2-ylethanone.
What is the SMILES notation for 1-[3-[1-(2-phenylethyl)piperidin-4-yl]pyrrolidin-1-yl]-2-pyridin-2-ylethanone?
The canonical SMILES for 1-[3-[1-(2-phenylethyl)piperidin-4-yl]pyrrolidin-1-yl]-2-pyridin-2-ylethanone is O=C(Cc1ccccn1)N1CCC(C2CCN(CCc3ccccc3)CC2)C1.
What is the InChIKey of 1-[3-[1-(2-phenylethyl)piperidin-4-yl]pyrrolidin-1-yl]-2-pyridin-2-ylethanone?
The InChIKey is ABFZHJNBLBPCCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O/c28-24(18-23-8-4-5-13-25-23)27-17-12-22(19-27)21-10-15-26(16-11-21)14-9-20-6-2-1-3-7-20/h1-8,13,21-22H,9-12,14-19H2.
What are the key properties of 1-[3-[1-(2-phenylethyl)piperidin-4-yl]pyrrolidin-1-yl]-2-pyridin-2-ylethanone?
1-[3-[1-(2-phenylethyl)piperidin-4-yl]pyrrolidin-1-yl]-2-pyridin-2-ylethanone has a molecular weight of 377.53 g/mol, XLogP of 3.43, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[1-(2-phenylethyl)piperidin-4-yl]pyrrolidin-1-yl]-2-pyridin-2-ylethanone is sourced from PubChem (CID 45188532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).