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

C16H21ClN2O — CID 7026509

IUPAC(3-chlorophenyl)-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone
SMILESO=C(c1cccc(Cl)c1)N1CCC(N2CCCC2)CC1
InChIInChI=1S/C16H21ClN2O/c17-14-5-3-4-13(12-14)16(20)19-10-6-15(7-11-19)18-8-1-2-9-18/h3-5,12,15H,1-2,6-11H2
InChIKeyFLXPPUGKFOUSPC-UHFFFAOYSA-N
MW292.81 g/mol
LogP3.04
Rot. Bonds2

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

(3-chlorophenyl)-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone (PubChem CID 7026509) has the molecular formula C16H21ClN2O and a molecular weight of 292.81 g/mol. Its IUPAC name is (3-chlorophenyl)-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(3-chlorophenyl)-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone
PubChem CID7026509
Molecular FormulaC16H21ClN2O
Molecular Weight292.81 g/mol
Exact Mass292.13
IUPAC Name(3-chlorophenyl)-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone
SMILESO=C(c1cccc(Cl)c1)N1CCC(N2CCCC2)CC1
InChIInChI=1S/C16H21ClN2O/c17-14-5-3-4-13(12-14)16(20)19-10-6-15(7-11-19)18-8-1-2-9-18/h3-5,12,15H,1-2,6-11H2
InChIKeyFLXPPUGKFOUSPC-UHFFFAOYSA-N
XLogP3.04
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.81
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(3-chlorophenyl)-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone;oxalic acid
CID 90483391
(3-chlorophenyl)-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]methanone
CID 3824852
(3-chlorophenyl)-[4-[(3S)-3-methylpiperidin-1-yl]piperidin-1-yl]methanone
CID 807187
(3-chlorophenyl)-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]methanone;oxalic acid
CID 17369257
(3-chlorophenyl)-[4-(3-methylpiperidin-1-yl)piperidin-1-yl]methanone;oxalic acid
CID 2911932
(3-fluorophenyl)-(4-piperidin-1-ylpiperidin-1-yl)methanone
CID 110868479
[1-(3-chlorobenzoyl)piperidin-4-yl]-piperidin-1-ylmethanone
CID 113003036
(3-chlorophenyl)-[4-[4-(1,3-thiazol-2-yloxy)piperidin-1-yl]piperidin-1-yl]methanone
CID 90617838
3-(4-piperidin-1-ylpiperidine-1-carbonyl)benzonitrile
CID 51090890
(3-methoxyphenyl)-(4-piperidin-1-ylpiperidin-1-yl)methanone
CID 110868482
[4-(4-piperidin-1-ylpiperidine-1-carbonyl)phenyl]-(4-piperidin-1-ylpiperidin-1-yl)methanone
CID 70679311
N-benzyl-1-[1-(3-chlorobenzoyl)piperidin-4-yl]-N-methylpiperidine-4-carboxamide
CID 42693664

Frequently Asked Questions

What is the IUPAC name of (3-chlorophenyl)-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone?
The IUPAC name of (3-chlorophenyl)-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone (CID 7026509) is (3-chlorophenyl)-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone.
What is the SMILES notation for (3-chlorophenyl)-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone?
The canonical SMILES for (3-chlorophenyl)-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone is O=C(c1cccc(Cl)c1)N1CCC(N2CCCC2)CC1.
What is the InChIKey of (3-chlorophenyl)-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone?
The InChIKey is FLXPPUGKFOUSPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21ClN2O/c17-14-5-3-4-13(12-14)16(20)19-10-6-15(7-11-19)18-8-1-2-9-18/h3-5,12,15H,1-2,6-11H2.
What are the key properties of (3-chlorophenyl)-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone?
(3-chlorophenyl)-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone has a molecular weight of 292.81 g/mol, XLogP of 3.04, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chlorophenyl)-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone is sourced from PubChem (CID 7026509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).