(3-chlorophenyl)-(4-phenyl-4-pyrrolidin-1-ylpiperidin-1-yl)methanone

C22H25ClN2O — CID 110637923

IUPAC(3-chlorophenyl)-(4-phenyl-4-pyrrolidin-1-ylpiperidin-1-yl)methanone
SMILESO=C(c1cccc(Cl)c1)N1CCC(c2ccccc2)(N2CCCC2)CC1
InChIInChI=1S/C22H25ClN2O/c23-20-10-6-7-18(17-20)21(26)24-15-11-22(12-16-24,25-13-4-5-14-25)19-8-2-1-3-9-19/h1-3,6-10,17H,4-5,11-16H2
InChIKeyCCNHZMFCPJEHGN-UHFFFAOYSA-N
MW368.91 g/mol
LogP4.57
Rot. Bonds3

About (3-chlorophenyl)-(4-phenyl-4-pyrrolidin-1-ylpiperidin-1-yl)methanone

(3-chlorophenyl)-(4-phenyl-4-pyrrolidin-1-ylpiperidin-1-yl)methanone (PubChem CID 110637923) has the molecular formula C22H25ClN2O and a molecular weight of 368.91 g/mol. Its IUPAC name is (3-chlorophenyl)-(4-phenyl-4-pyrrolidin-1-ylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(3-chlorophenyl)-(4-phenyl-4-pyrrolidin-1-ylpiperidin-1-yl)methanone
PubChem CID110637923
Molecular FormulaC22H25ClN2O
Molecular Weight368.91 g/mol
Exact Mass368.17
IUPAC Name(3-chlorophenyl)-(4-phenyl-4-pyrrolidin-1-ylpiperidin-1-yl)methanone
SMILESO=C(c1cccc(Cl)c1)N1CCC(c2ccccc2)(N2CCCC2)CC1
InChIInChI=1S/C22H25ClN2O/c23-20-10-6-7-18(17-20)21(26)24-15-11-22(12-16-24,25-13-4-5-14-25)19-8-2-1-3-9-19/h1-3,6-10,17H,4-5,11-16H2
InChIKeyCCNHZMFCPJEHGN-UHFFFAOYSA-N
XLogP4.57
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.91
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(3-chlorophenyl)-(4-morpholin-4-yl-4-phenylpiperidin-1-yl)methanone
CID 110409260
1-(3-chlorobenzoyl)-4-phenylpiperidine-4-carboxylic acid
CID 45433186
1-(3-chlorobenzoyl)-4-ethylpiperidine-4-carboxylic acid
CID 63124878
[4-(1-aminocyclopropanecarbonyl)piperazin-1-yl]-(3-chlorophenyl)methanone
CID 119703799
(3-aminophenyl)-[4-(3-chlorobenzoyl)-1,4-diazepan-1-yl]methanone;hydrochloride
CID 119747861
(3-chlorophenyl)-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone
CID 7026509
(3-chlorophenyl)-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone;oxalic acid
CID 90483391
[1-(3-chlorobenzoyl)piperidin-4-yl]-piperidin-1-ylmethanone
CID 113003036
(3-chlorophenyl)-[4-(1H-pyrrole-2-carbonyl)-1,4-diazepan-1-yl]methanone
CID 110808412
(3-chlorophenyl)-[4-(1H-pyrrole-3-carbonyl)-1,4-diazepan-1-yl]methanone
CID 110808411
4-[4-(3-chlorobenzoyl)piperazine-1-carbonyl]cyclohexane-1-carboxylic acid
CID 120673228
2-[8-(3-chlorobenzoyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]-N-propan-2-ylacetamide
CID 3903647

Frequently Asked Questions

What is the IUPAC name of (3-chlorophenyl)-(4-phenyl-4-pyrrolidin-1-ylpiperidin-1-yl)methanone?
The IUPAC name of (3-chlorophenyl)-(4-phenyl-4-pyrrolidin-1-ylpiperidin-1-yl)methanone (CID 110637923) is (3-chlorophenyl)-(4-phenyl-4-pyrrolidin-1-ylpiperidin-1-yl)methanone.
What is the SMILES notation for (3-chlorophenyl)-(4-phenyl-4-pyrrolidin-1-ylpiperidin-1-yl)methanone?
The canonical SMILES for (3-chlorophenyl)-(4-phenyl-4-pyrrolidin-1-ylpiperidin-1-yl)methanone is O=C(c1cccc(Cl)c1)N1CCC(c2ccccc2)(N2CCCC2)CC1.
What is the InChIKey of (3-chlorophenyl)-(4-phenyl-4-pyrrolidin-1-ylpiperidin-1-yl)methanone?
The InChIKey is CCNHZMFCPJEHGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25ClN2O/c23-20-10-6-7-18(17-20)21(26)24-15-11-22(12-16-24,25-13-4-5-14-25)19-8-2-1-3-9-19/h1-3,6-10,17H,4-5,11-16H2.
What are the key properties of (3-chlorophenyl)-(4-phenyl-4-pyrrolidin-1-ylpiperidin-1-yl)methanone?
(3-chlorophenyl)-(4-phenyl-4-pyrrolidin-1-ylpiperidin-1-yl)methanone has a molecular weight of 368.91 g/mol, XLogP of 4.57, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chlorophenyl)-(4-phenyl-4-pyrrolidin-1-ylpiperidin-1-yl)methanone is sourced from PubChem (CID 110637923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).