2-chloro-6-methyl-N-[1-(oxan-4-yl)piperidin-4-yl]benzamide

C18H25ClN2O2 — CID 118774564

IUPAC2-chloro-6-methyl-N-[1-(oxan-4-yl)piperidin-4-yl]benzamide
SMILESCc1cccc(Cl)c1C(=O)NC1CCN(C2CCOCC2)CC1
InChIInChI=1S/C18H25ClN2O2/c1-13-3-2-4-16(19)17(13)18(22)20-14-5-9-21(10-6-14)15-7-11-23-12-8-15/h2-4,14-15H,5-12H2,1H3,(H,20,22)
InChIKeyOTIRRGPDORPCFW-UHFFFAOYSA-N
MW336.86 g/mol
LogP3.02
Rot. Bonds3

About 2-chloro-6-methyl-N-[1-(oxan-4-yl)piperidin-4-yl]benzamide

2-chloro-6-methyl-N-[1-(oxan-4-yl)piperidin-4-yl]benzamide (PubChem CID 118774564) has the molecular formula C18H25ClN2O2 and a molecular weight of 336.86 g/mol. Its IUPAC name is 2-chloro-6-methyl-N-[1-(oxan-4-yl)piperidin-4-yl]benzamide.

Molecular Properties

Compound Name2-chloro-6-methyl-N-[1-(oxan-4-yl)piperidin-4-yl]benzamide
PubChem CID118774564
Molecular FormulaC18H25ClN2O2
Molecular Weight336.86 g/mol
Exact Mass336.16
IUPAC Name2-chloro-6-methyl-N-[1-(oxan-4-yl)piperidin-4-yl]benzamide
SMILESCc1cccc(Cl)c1C(=O)NC1CCN(C2CCOCC2)CC1
InChIInChI=1S/C18H25ClN2O2/c1-13-3-2-4-16(19)17(13)18(22)20-14-5-9-21(10-6-14)15-7-11-23-12-8-15/h2-4,14-15H,5-12H2,1H3,(H,20,22)
InChIKeyOTIRRGPDORPCFW-UHFFFAOYSA-N
XLogP3.02
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.86
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-N-[1-(oxan-4-yl)piperidin-4-yl]benzamide
CID 126834663
2-chloro-6-fluoro-N-(oxan-4-yl)benzamide
CID 110726834
N-(1-cyclopropylpiperidin-4-yl)-2-methylbenzamide
CID 39974888
4-(2-fluoro-6-methylphenyl)-N-[1-(oxan-4-yl)piperidin-4-yl]-1H-pyrazole-5-carboxamide
CID 142995019
2,6-dichloro-N-(1-propylpiperidin-4-yl)benzamide
CID 17249839
2-(4-chlorophenyl)-N-[1-(oxan-4-yl)piperidin-4-yl]acetamide
CID 126834660
1-(4-chlorophenyl)-3-[1-(oxan-4-yl)piperidin-4-yl]urea
CID 94862524
2-methyl-N-[1-(oxan-4-yl)piperidin-4-yl]-3-(2-oxopyrrolidin-1-yl)benzamide
CID 118454719
2,6-dimethyl-N-[1-(oxan-4-yl)piperidin-4-yl]imidazo[1,2-a]pyridine-3-carboxamide
CID 118775631
2-methyl-N-[1-(oxan-4-yl)piperidin-4-yl]imidazo[1,2-a]pyrimidine-3-carboxamide
CID 118765444
2,6-dichloro-N-(1-propan-2-ylazepan-4-yl)benzamide
CID 155556170
2-chloro-6-methyl-N-[2-[(3R)-3-methylpyrrolidin-1-yl]ethyl]benzamide
CID 126724124

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-methyl-N-[1-(oxan-4-yl)piperidin-4-yl]benzamide?
The IUPAC name of 2-chloro-6-methyl-N-[1-(oxan-4-yl)piperidin-4-yl]benzamide (CID 118774564) is 2-chloro-6-methyl-N-[1-(oxan-4-yl)piperidin-4-yl]benzamide.
What is the SMILES notation for 2-chloro-6-methyl-N-[1-(oxan-4-yl)piperidin-4-yl]benzamide?
The canonical SMILES for 2-chloro-6-methyl-N-[1-(oxan-4-yl)piperidin-4-yl]benzamide is Cc1cccc(Cl)c1C(=O)NC1CCN(C2CCOCC2)CC1.
What is the InChIKey of 2-chloro-6-methyl-N-[1-(oxan-4-yl)piperidin-4-yl]benzamide?
The InChIKey is OTIRRGPDORPCFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25ClN2O2/c1-13-3-2-4-16(19)17(13)18(22)20-14-5-9-21(10-6-14)15-7-11-23-12-8-15/h2-4,14-15H,5-12H2,1H3,(H,20,22).
What are the key properties of 2-chloro-6-methyl-N-[1-(oxan-4-yl)piperidin-4-yl]benzamide?
2-chloro-6-methyl-N-[1-(oxan-4-yl)piperidin-4-yl]benzamide has a molecular weight of 336.86 g/mol, XLogP of 3.02, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-methyl-N-[1-(oxan-4-yl)piperidin-4-yl]benzamide is sourced from PubChem (CID 118774564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).