[4-[1-[(4-chlorophenyl)methyl]pyrrolidin-3-yl]piperidin-1-yl]-cyclobutylmethanone

C21H29ClN2O — CID 45240719

IUPAC[4-[1-[(4-chlorophenyl)methyl]pyrrolidin-3-yl]piperidin-1-yl]-cyclobutylmethanone
SMILESO=C(C1CCC1)N1CCC(C2CCN(Cc3ccc(Cl)cc3)C2)CC1
InChIInChI=1S/C21H29ClN2O/c22-20-6-4-16(5-7-20)14-23-11-8-19(15-23)17-9-12-24(13-10-17)21(25)18-2-1-3-18/h4-7,17-19H,1-3,8-15H2
InChIKeyYDMFYJZMVRJDJM-UHFFFAOYSA-N
MW360.93 g/mol
LogP4.20
Rot. Bonds4

About [4-[1-[(4-chlorophenyl)methyl]pyrrolidin-3-yl]piperidin-1-yl]-cyclobutylmethanone

[4-[1-[(4-chlorophenyl)methyl]pyrrolidin-3-yl]piperidin-1-yl]-cyclobutylmethanone (PubChem CID 45240719) has the molecular formula C21H29ClN2O and a molecular weight of 360.93 g/mol. Its IUPAC name is [4-[1-[(4-chlorophenyl)methyl]pyrrolidin-3-yl]piperidin-1-yl]-cyclobutylmethanone.

Molecular Properties

Compound Name[4-[1-[(4-chlorophenyl)methyl]pyrrolidin-3-yl]piperidin-1-yl]-cyclobutylmethanone
PubChem CID45240719
Molecular FormulaC21H29ClN2O
Molecular Weight360.93 g/mol
Exact Mass360.20
IUPAC Name[4-[1-[(4-chlorophenyl)methyl]pyrrolidin-3-yl]piperidin-1-yl]-cyclobutylmethanone
SMILESO=C(C1CCC1)N1CCC(C2CCN(Cc3ccc(Cl)cc3)C2)CC1
InChIInChI=1S/C21H29ClN2O/c22-20-6-4-16(5-7-20)14-23-11-8-19(15-23)17-9-12-24(13-10-17)21(25)18-2-1-3-18/h4-7,17-19H,1-3,8-15H2
InChIKeyYDMFYJZMVRJDJM-UHFFFAOYSA-N
XLogP4.20
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.93
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 773315
2-(4-Chloro-phenyl)-1-(2-pyrrolidin-1-ylmethyl-piperidin-1-yl)-ethanone(HCl)
CID 14810963
3-(4-Chloro-phenyl)-1-(1-phenyl-2-pyrrolidin-1-yl-ethyl)-1,3,4,7-tetrahydro-azepin-2-one
CID 22573206
1-(4-Chlorobenzoyl)-3,5-dimethylpiperidine
CID 2843209
1-(4-chlorobenzyl)-N-(propan-2-yl)piperidine-4-carboxamide
CID 762829
2-(2-chlorobenzyl)-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione
CID 3105239
1-[(3-chlorophenyl)methyl]-N-methyl-N-(phenylmethyl)-3-piperidinecarboxamide
CID 3500831
1-[(4-chlorophenyl)methyl]-N-cyclohexylpiperidine-4-carboxamide
CID 3889245
(4-Benzyl-piperazin-1-yl)-cyclobutyl-methanone
CID 6603632
N-Benzyl-2-[(3R,4S)-4-(4-chloro-phenyl)-1-methyl-piperidin-3-yl]-N-methyl-acetamide
CID 9976459
1-(4-chlorobenzyl)-N-(3-cyclopentylpropyl)-6-oxo-3-piperidinecarboxamide
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Frequently Asked Questions

What is the IUPAC name of [4-[1-[(4-chlorophenyl)methyl]pyrrolidin-3-yl]piperidin-1-yl]-cyclobutylmethanone?
The IUPAC name of [4-[1-[(4-chlorophenyl)methyl]pyrrolidin-3-yl]piperidin-1-yl]-cyclobutylmethanone (CID 45240719) is [4-[1-[(4-chlorophenyl)methyl]pyrrolidin-3-yl]piperidin-1-yl]-cyclobutylmethanone.
What is the SMILES notation for [4-[1-[(4-chlorophenyl)methyl]pyrrolidin-3-yl]piperidin-1-yl]-cyclobutylmethanone?
The canonical SMILES for [4-[1-[(4-chlorophenyl)methyl]pyrrolidin-3-yl]piperidin-1-yl]-cyclobutylmethanone is O=C(C1CCC1)N1CCC(C2CCN(Cc3ccc(Cl)cc3)C2)CC1.
What is the InChIKey of [4-[1-[(4-chlorophenyl)methyl]pyrrolidin-3-yl]piperidin-1-yl]-cyclobutylmethanone?
The InChIKey is YDMFYJZMVRJDJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29ClN2O/c22-20-6-4-16(5-7-20)14-23-11-8-19(15-23)17-9-12-24(13-10-17)21(25)18-2-1-3-18/h4-7,17-19H,1-3,8-15H2.
What are the key properties of [4-[1-[(4-chlorophenyl)methyl]pyrrolidin-3-yl]piperidin-1-yl]-cyclobutylmethanone?
[4-[1-[(4-chlorophenyl)methyl]pyrrolidin-3-yl]piperidin-1-yl]-cyclobutylmethanone has a molecular weight of 360.93 g/mol, XLogP of 4.20, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[1-[(4-chlorophenyl)methyl]pyrrolidin-3-yl]piperidin-1-yl]-cyclobutylmethanone is sourced from PubChem (CID 45240719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).