(4-chlorophenyl)-[4-[methyl(oxan-4-yl)amino]piperidin-1-yl]methanone

C18H25ClN2O2 — CID 91916187

IUPAC(4-chlorophenyl)-[4-[methyl(oxan-4-yl)amino]piperidin-1-yl]methanone
SMILESCN(C1CCOCC1)C1CCN(C(=O)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C18H25ClN2O2/c1-20(17-8-12-23-13-9-17)16-6-10-21(11-7-16)18(22)14-2-4-15(19)5-3-14/h2-5,16-17H,6-13H2,1H3
InChIKeyJIROTSZUVKOUCF-UHFFFAOYSA-N
MW336.86 g/mol
LogP3.06
Rot. Bonds3

About (4-chlorophenyl)-[4-[methyl(oxan-4-yl)amino]piperidin-1-yl]methanone

(4-chlorophenyl)-[4-[methyl(oxan-4-yl)amino]piperidin-1-yl]methanone (PubChem CID 91916187) has the molecular formula C18H25ClN2O2 and a molecular weight of 336.86 g/mol. Its IUPAC name is (4-chlorophenyl)-[4-[methyl(oxan-4-yl)amino]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(4-chlorophenyl)-[4-[methyl(oxan-4-yl)amino]piperidin-1-yl]methanone
PubChem CID91916187
Molecular FormulaC18H25ClN2O2
Molecular Weight336.86 g/mol
Exact Mass336.16
IUPAC Name(4-chlorophenyl)-[4-[methyl(oxan-4-yl)amino]piperidin-1-yl]methanone
SMILESCN(C1CCOCC1)C1CCN(C(=O)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C18H25ClN2O2/c1-20(17-8-12-23-13-9-17)16-6-10-21(11-7-16)18(22)14-2-4-15(19)5-3-14/h2-5,16-17H,6-13H2,1H3
InChIKeyJIROTSZUVKOUCF-UHFFFAOYSA-N
XLogP3.06
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.86
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(4-chlorophenyl)phenyl]-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]methanone
CID 126426652
(4-chlorophenyl)-[4-(methylamino)piperidin-1-yl]methanone
CID 83728657
[1-(4-chlorobenzoyl)piperidin-4-yl]azanium
CID 7183143
(4-chlorophenyl)-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]methanone
CID 113073693
N-[1-(3-chloro-4-fluorobenzoyl)piperidin-4-yl]-2-methoxy-N-(oxan-4-yl)acetamide
CID 91906169
N-[1-(3-chlorobenzoyl)piperidin-4-yl]-N-(oxan-4-yl)methanesulfonamide
CID 91916201
1-(4-chlorobenzoyl)-N,N-diethylpiperidine-4-carboxamide
CID 17119192
4-[(4-chlorophenyl)-cyanomethylidene]-N-methyl-N-(oxan-4-yl)piperidine-1-carboxamide
CID 171473567
[4-[(dimethylamino)methyl]phenyl]-morpholin-4-ylmethanone
CID 60699283
[1-(4-chlorobenzoyl)piperidin-4-yl]carbamic acid
CID 154188443
(4-chlorophenyl)-[(2S)-2-[2-(dimethylamino)ethyl]morpholin-4-yl]methanone
CID 26407031
(4-chlorophenyl)-morpholin-4-ylmethanone;2-(oxiran-2-ylmethoxymethyl)oxirane
CID 174419120

Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl)-[4-[methyl(oxan-4-yl)amino]piperidin-1-yl]methanone?
The IUPAC name of (4-chlorophenyl)-[4-[methyl(oxan-4-yl)amino]piperidin-1-yl]methanone (CID 91916187) is (4-chlorophenyl)-[4-[methyl(oxan-4-yl)amino]piperidin-1-yl]methanone.
What is the SMILES notation for (4-chlorophenyl)-[4-[methyl(oxan-4-yl)amino]piperidin-1-yl]methanone?
The canonical SMILES for (4-chlorophenyl)-[4-[methyl(oxan-4-yl)amino]piperidin-1-yl]methanone is CN(C1CCOCC1)C1CCN(C(=O)c2ccc(Cl)cc2)CC1.
What is the InChIKey of (4-chlorophenyl)-[4-[methyl(oxan-4-yl)amino]piperidin-1-yl]methanone?
The InChIKey is JIROTSZUVKOUCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25ClN2O2/c1-20(17-8-12-23-13-9-17)16-6-10-21(11-7-16)18(22)14-2-4-15(19)5-3-14/h2-5,16-17H,6-13H2,1H3.
What are the key properties of (4-chlorophenyl)-[4-[methyl(oxan-4-yl)amino]piperidin-1-yl]methanone?
(4-chlorophenyl)-[4-[methyl(oxan-4-yl)amino]piperidin-1-yl]methanone has a molecular weight of 336.86 g/mol, XLogP of 3.06, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenyl)-[4-[methyl(oxan-4-yl)amino]piperidin-1-yl]methanone is sourced from PubChem (CID 91916187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).