2-(1-benzylpiperidin-4-yl)-1-(4-pyrrolidin-1-ylphenyl)ethanone

C24H30N2O — CID 10406365

IUPAC2-(1-benzylpiperidin-4-yl)-1-(4-pyrrolidin-1-ylphenyl)ethanone
SMILESO=C(CC1CCN(Cc2ccccc2)CC1)c1ccc(N2CCCC2)cc1
InChIInChI=1S/C24H30N2O/c27-24(22-8-10-23(11-9-22)26-14-4-5-15-26)18-20-12-16-25(17-13-20)19-21-6-2-1-3-7-21/h1-3,6-11,20H,4-5,12-19H2
InChIKeyFCVUUUSDKUOMRQ-UHFFFAOYSA-N
MW362.52 g/mol
LogP4.77
Rot. Bonds6

About 2-(1-benzylpiperidin-4-yl)-1-(4-pyrrolidin-1-ylphenyl)ethanone

2-(1-benzylpiperidin-4-yl)-1-(4-pyrrolidin-1-ylphenyl)ethanone (PubChem CID 10406365) has the molecular formula C24H30N2O and a molecular weight of 362.52 g/mol. Its IUPAC name is 2-(1-benzylpiperidin-4-yl)-1-(4-pyrrolidin-1-ylphenyl)ethanone.

Molecular Properties

Compound Name2-(1-benzylpiperidin-4-yl)-1-(4-pyrrolidin-1-ylphenyl)ethanone
PubChem CID10406365
Molecular FormulaC24H30N2O
Molecular Weight362.52 g/mol
Exact Mass362.24
IUPAC Name2-(1-benzylpiperidin-4-yl)-1-(4-pyrrolidin-1-ylphenyl)ethanone
SMILESO=C(CC1CCN(Cc2ccccc2)CC1)c1ccc(N2CCCC2)cc1
InChIInChI=1S/C24H30N2O/c27-24(22-8-10-23(11-9-22)26-14-4-5-15-26)18-20-12-16-25(17-13-20)19-21-6-2-1-3-7-21/h1-3,6-11,20H,4-5,12-19H2
InChIKeyFCVUUUSDKUOMRQ-UHFFFAOYSA-N
XLogP4.77
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.52
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-[2-(1-benzylpiperidin-4-yl)acetyl]phenyl]acetamide
CID 19968938
(NZ)-N-[3-(1-benzylpiperidin-4-yl)-1-(4-pyrrolidin-1-ylphenyl)propylidene]hydroxylamine
CID 19390888
2-(1-benzylpiperidin-4-yl)-1-(3-benzyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)ethanone;dihydrochloride
CID 70026664
1-[4-(4-benzylpiperazin-1-yl)phenyl]-2-bromoethanone
CID 58566079
1-[6-[4-(4-methylbenzoyl)piperidine-1-carbonyl]-3-pyridinyl]-2-[1-[(4-pyrrolidin-1-ylphenyl)methyl]piperidin-4-yl]ethanone
CID 58073194
1-[5-(4-benzylpiperazine-1-carbonyl)-2-pyridinyl]-2-(1-benzylpiperidin-4-yl)ethanone
CID 58073212
2-amino-1-[4-(4-benzylpiperidin-1-yl)phenyl]ethanone
CID 83971754
[4-[(4-benzylpiperidin-1-yl)methyl]phenyl]-piperidin-1-ylmethanone
CID 1354348
4-(4-benzylpiperidin-1-yl)benzoic acid
CID 22730857
methane;methyl 2-(1-benzylpiperidin-4-yl)acetate
CID 78582433
1-benzyl-5-hydroxyazepane-4-carboxylic acid
CID 83488362
1-benzylpiperidine-4-carbonyl chloride
CID 18919767

Frequently Asked Questions

What is the IUPAC name of 2-(1-benzylpiperidin-4-yl)-1-(4-pyrrolidin-1-ylphenyl)ethanone?
The IUPAC name of 2-(1-benzylpiperidin-4-yl)-1-(4-pyrrolidin-1-ylphenyl)ethanone (CID 10406365) is 2-(1-benzylpiperidin-4-yl)-1-(4-pyrrolidin-1-ylphenyl)ethanone.
What is the SMILES notation for 2-(1-benzylpiperidin-4-yl)-1-(4-pyrrolidin-1-ylphenyl)ethanone?
The canonical SMILES for 2-(1-benzylpiperidin-4-yl)-1-(4-pyrrolidin-1-ylphenyl)ethanone is O=C(CC1CCN(Cc2ccccc2)CC1)c1ccc(N2CCCC2)cc1.
What is the InChIKey of 2-(1-benzylpiperidin-4-yl)-1-(4-pyrrolidin-1-ylphenyl)ethanone?
The InChIKey is FCVUUUSDKUOMRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N2O/c27-24(22-8-10-23(11-9-22)26-14-4-5-15-26)18-20-12-16-25(17-13-20)19-21-6-2-1-3-7-21/h1-3,6-11,20H,4-5,12-19H2.
What are the key properties of 2-(1-benzylpiperidin-4-yl)-1-(4-pyrrolidin-1-ylphenyl)ethanone?
2-(1-benzylpiperidin-4-yl)-1-(4-pyrrolidin-1-ylphenyl)ethanone has a molecular weight of 362.52 g/mol, XLogP of 4.77, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzylpiperidin-4-yl)-1-(4-pyrrolidin-1-ylphenyl)ethanone is sourced from PubChem (CID 10406365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).