(3-chlorophenyl)-[4-[(3S)-3-methylpiperidin-1-yl]piperidin-1-yl]methanone

C18H25ClN2O — CID 807187

IUPAC(3-chlorophenyl)-[4-[(3S)-3-methylpiperidin-1-yl]piperidin-1-yl]methanone
SMILESC[C@H]1CCCN(C2CCN(C(=O)c3cccc(Cl)c3)CC2)C1
InChIInChI=1S/C18H25ClN2O/c1-14-4-3-9-21(13-14)17-7-10-20(11-8-17)18(22)15-5-2-6-16(19)12-15/h2,5-6,12,14,17H,3-4,7-11,13H2,1H3/t14-/m0/s1
InChIKeyCMZYTSQXPPJIPO-AWEZNQCLSA-N
MW320.86 g/mol
LogP3.68
Rot. Bonds2

About (3-chlorophenyl)-[4-[(3S)-3-methylpiperidin-1-yl]piperidin-1-yl]methanone

(3-chlorophenyl)-[4-[(3S)-3-methylpiperidin-1-yl]piperidin-1-yl]methanone (PubChem CID 807187) has the molecular formula C18H25ClN2O and a molecular weight of 320.86 g/mol. Its IUPAC name is (3-chlorophenyl)-[4-[(3S)-3-methylpiperidin-1-yl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(3-chlorophenyl)-[4-[(3S)-3-methylpiperidin-1-yl]piperidin-1-yl]methanone
PubChem CID807187
Molecular FormulaC18H25ClN2O
Molecular Weight320.86 g/mol
Exact Mass320.17
IUPAC Name(3-chlorophenyl)-[4-[(3S)-3-methylpiperidin-1-yl]piperidin-1-yl]methanone
SMILESC[C@H]1CCCN(C2CCN(C(=O)c3cccc(Cl)c3)CC2)C1
InChIInChI=1S/C18H25ClN2O/c1-14-4-3-9-21(13-14)17-7-10-20(11-8-17)18(22)15-5-2-6-16(19)12-15/h2,5-6,12,14,17H,3-4,7-11,13H2,1H3/t14-/m0/s1
InChIKeyCMZYTSQXPPJIPO-AWEZNQCLSA-N
XLogP3.68
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.86
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(3-chlorophenyl)-[4-(3-methylpiperidin-1-yl)piperidin-1-yl]methanone;oxalic acid
CID 2911932
(3-chlorophenyl)-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone
CID 7026509
(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-(4-methylpiperazin-1-yl)piperidin-1-yl]methanone;oxalic acid
CID 17369257
N-[2-(3-chlorophenyl)propan-2-yl]-4-[4-(3-methylpiperidin-1-yl)piperidine-1-carbonyl]benzamide;2,2,2-trifluoroacetic acid
CID 122652154
[4-(3-methylpiperidin-1-yl)piperidin-1-yl]-(4-phenylphenyl)methanone;oxalic acid
CID 90483458
[3-(3-methylpiperidine-1-carbonyl)phenyl]-piperidin-1-ylmethanone
CID 109052035
1-[3-[4-[(3R)-3-hydroxypiperidin-1-yl]piperidine-1-carbonyl]phenyl]ethanone
CID 95714528
(3-chlorophenyl)-(4-propylazepan-1-yl)methanone
CID 142181487
[4-(1-chloroethyl)piperidin-1-yl]-(3-chlorophenyl)methanone
CID 106839026
[1-(3-chlorobenzoyl)piperidin-4-yl]-piperidin-1-ylmethanone
CID 113003036

Frequently Asked Questions

What is the IUPAC name of (3-chlorophenyl)-[4-[(3S)-3-methylpiperidin-1-yl]piperidin-1-yl]methanone?
The IUPAC name of (3-chlorophenyl)-[4-[(3S)-3-methylpiperidin-1-yl]piperidin-1-yl]methanone (CID 807187) is (3-chlorophenyl)-[4-[(3S)-3-methylpiperidin-1-yl]piperidin-1-yl]methanone.
What is the SMILES notation for (3-chlorophenyl)-[4-[(3S)-3-methylpiperidin-1-yl]piperidin-1-yl]methanone?
The canonical SMILES for (3-chlorophenyl)-[4-[(3S)-3-methylpiperidin-1-yl]piperidin-1-yl]methanone is C[C@H]1CCCN(C2CCN(C(=O)c3cccc(Cl)c3)CC2)C1.
What is the InChIKey of (3-chlorophenyl)-[4-[(3S)-3-methylpiperidin-1-yl]piperidin-1-yl]methanone?
The InChIKey is CMZYTSQXPPJIPO-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H25ClN2O/c1-14-4-3-9-21(13-14)17-7-10-20(11-8-17)18(22)15-5-2-6-16(19)12-15/h2,5-6,12,14,17H,3-4,7-11,13H2,1H3/t14-/m0/s1.
What are the key properties of (3-chlorophenyl)-[4-[(3S)-3-methylpiperidin-1-yl]piperidin-1-yl]methanone?
(3-chlorophenyl)-[4-[(3S)-3-methylpiperidin-1-yl]piperidin-1-yl]methanone has a molecular weight of 320.86 g/mol, XLogP of 3.68, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chlorophenyl)-[4-[(3S)-3-methylpiperidin-1-yl]piperidin-1-yl]methanone is sourced from PubChem (CID 807187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).