3-chloro-N-[(1-piperidin-1-ylcyclohexyl)methyl]benzamide

C19H27ClN2O — CID 4799556

IUPAC3-chloro-N-[(1-piperidin-1-ylcyclohexyl)methyl]benzamide
SMILESO=C(NCC1(N2CCCCC2)CCCCC1)c1cccc(Cl)c1
InChIInChI=1S/C19H27ClN2O/c20-17-9-7-8-16(14-17)18(23)21-15-19(10-3-1-4-11-19)22-12-5-2-6-13-22/h7-9,14H,1-6,10-13,15H2,(H,21,23)
InChIKeyLFSSKZZSSJEZFQ-UHFFFAOYSA-N
MW334.89 g/mol
LogP4.26
Rot. Bonds4

About 3-chloro-N-[(1-piperidin-1-ylcyclohexyl)methyl]benzamide

3-chloro-N-[(1-piperidin-1-ylcyclohexyl)methyl]benzamide (PubChem CID 4799556) has the molecular formula C19H27ClN2O and a molecular weight of 334.89 g/mol. Its IUPAC name is 3-chloro-N-[(1-piperidin-1-ylcyclohexyl)methyl]benzamide.

Molecular Properties

Compound Name3-chloro-N-[(1-piperidin-1-ylcyclohexyl)methyl]benzamide
PubChem CID4799556
Molecular FormulaC19H27ClN2O
Molecular Weight334.89 g/mol
Exact Mass334.18
IUPAC Name3-chloro-N-[(1-piperidin-1-ylcyclohexyl)methyl]benzamide
SMILESO=C(NCC1(N2CCCCC2)CCCCC1)c1cccc(Cl)c1
InChIInChI=1S/C19H27ClN2O/c20-17-9-7-8-16(14-17)18(23)21-15-19(10-3-1-4-11-19)22-12-5-2-6-13-22/h7-9,14H,1-6,10-13,15H2,(H,21,23)
InChIKeyLFSSKZZSSJEZFQ-UHFFFAOYSA-N
XLogP4.26
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.89
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[(1-piperidin-1-ylcyclohexyl)methyl]benzamide?
The IUPAC name of 3-chloro-N-[(1-piperidin-1-ylcyclohexyl)methyl]benzamide (CID 4799556) is 3-chloro-N-[(1-piperidin-1-ylcyclohexyl)methyl]benzamide.
What is the SMILES notation for 3-chloro-N-[(1-piperidin-1-ylcyclohexyl)methyl]benzamide?
The canonical SMILES for 3-chloro-N-[(1-piperidin-1-ylcyclohexyl)methyl]benzamide is O=C(NCC1(N2CCCCC2)CCCCC1)c1cccc(Cl)c1.
What is the InChIKey of 3-chloro-N-[(1-piperidin-1-ylcyclohexyl)methyl]benzamide?
The InChIKey is LFSSKZZSSJEZFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27ClN2O/c20-17-9-7-8-16(14-17)18(23)21-15-19(10-3-1-4-11-19)22-12-5-2-6-13-22/h7-9,14H,1-6,10-13,15H2,(H,21,23).
What are the key properties of 3-chloro-N-[(1-piperidin-1-ylcyclohexyl)methyl]benzamide?
3-chloro-N-[(1-piperidin-1-ylcyclohexyl)methyl]benzamide has a molecular weight of 334.89 g/mol, XLogP of 4.26, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[(1-piperidin-1-ylcyclohexyl)methyl]benzamide is sourced from PubChem (CID 4799556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).