2-chloro-N-[(1R,2S)-2-(piperidin-1-ylmethyl)cyclohexyl]benzamide

C19H27ClN2O — CID 24872464

IUPAC2-chloro-N-[(1R,2S)-2-(piperidin-1-ylmethyl)cyclohexyl]benzamide
SMILESO=C(N[C@@H]1CCCC[C@H]1CN1CCCCC1)c1ccccc1Cl
InChIInChI=1S/C19H27ClN2O/c20-17-10-4-3-9-16(17)19(23)21-18-11-5-2-8-15(18)14-22-12-6-1-7-13-22/h3-4,9-10,15,18H,1-2,5-8,11-14H2,(H,21,23)/t15-,18+/m0/s1
InChIKeyAQHBCHPZFIIQIS-MAUKXSAKSA-N
MW334.89 g/mol
LogP4.11
Rot. Bonds4

About 2-chloro-N-[(1R,2S)-2-(piperidin-1-ylmethyl)cyclohexyl]benzamide

2-chloro-N-[(1R,2S)-2-(piperidin-1-ylmethyl)cyclohexyl]benzamide (PubChem CID 24872464) has the molecular formula C19H27ClN2O and a molecular weight of 334.89 g/mol. Its IUPAC name is 2-chloro-N-[(1R,2S)-2-(piperidin-1-ylmethyl)cyclohexyl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[(1R,2S)-2-(piperidin-1-ylmethyl)cyclohexyl]benzamide
PubChem CID24872464
Molecular FormulaC19H27ClN2O
Molecular Weight334.89 g/mol
Exact Mass334.18
IUPAC Name2-chloro-N-[(1R,2S)-2-(piperidin-1-ylmethyl)cyclohexyl]benzamide
SMILESO=C(N[C@@H]1CCCC[C@H]1CN1CCCCC1)c1ccccc1Cl
InChIInChI=1S/C19H27ClN2O/c20-17-10-4-3-9-16(17)19(23)21-18-11-5-2-8-15(18)14-22-12-6-1-7-13-22/h3-4,9-10,15,18H,1-2,5-8,11-14H2,(H,21,23)/t15-,18+/m0/s1
InChIKeyAQHBCHPZFIIQIS-MAUKXSAKSA-N
XLogP4.11
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 ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1R,2S)-2-(piperidin-1-ylmethyl)cyclohexyl]-1-benzothiophene-3-carboxamide
CID 24871627
3-(2-chlorophenyl)-N-[2-(piperidin-1-ylmethyl)cyclohexyl]propanamide
CID 74340181
N-[2-(bromomethyl)cyclopentyl]-2-chlorobenzamide
CID 106366339
2-(4-chlorophenyl)-N-[2-(piperidin-1-ylmethyl)cyclohexyl]acetamide
CID 74340123
N-(2-aminocyclopentyl)-2-chlorobenzamide
CID 63251263
N-[(1R,2S)-2-(piperidin-1-ylmethyl)cyclohexyl]thiophene-3-carboxamide
CID 24871869
4-acetamido-N-[(1R,2S)-2-(piperidin-1-ylmethyl)cyclohexyl]benzamide
CID 24871867
3-methyl-N-[2-(piperidin-1-ylmethyl)cyclohexyl]thiophene-2-carboxamide
CID 140519163
N-(2-aminocycloheptyl)-3-chloro-2-methylbenzamide
CID 107098127
N-[(1S,2R)-2-(azepan-1-ylmethyl)cyclohexyl]-4-pyrazol-1-ylbenzamide
CID 59007588
4-(2-methoxyethoxy)-N-[(1R,2S)-2-(piperidin-1-ylmethyl)cyclohexyl]benzamide
CID 24873264
2-chloro-N-cyclopentylbenzamide
CID 669043

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(1R,2S)-2-(piperidin-1-ylmethyl)cyclohexyl]benzamide?
The IUPAC name of 2-chloro-N-[(1R,2S)-2-(piperidin-1-ylmethyl)cyclohexyl]benzamide (CID 24872464) is 2-chloro-N-[(1R,2S)-2-(piperidin-1-ylmethyl)cyclohexyl]benzamide.
What is the SMILES notation for 2-chloro-N-[(1R,2S)-2-(piperidin-1-ylmethyl)cyclohexyl]benzamide?
The canonical SMILES for 2-chloro-N-[(1R,2S)-2-(piperidin-1-ylmethyl)cyclohexyl]benzamide is O=C(N[C@@H]1CCCC[C@H]1CN1CCCCC1)c1ccccc1Cl.
What is the InChIKey of 2-chloro-N-[(1R,2S)-2-(piperidin-1-ylmethyl)cyclohexyl]benzamide?
The InChIKey is AQHBCHPZFIIQIS-MAUKXSAKSA-N. The full InChI is InChI=1S/C19H27ClN2O/c20-17-10-4-3-9-16(17)19(23)21-18-11-5-2-8-15(18)14-22-12-6-1-7-13-22/h3-4,9-10,15,18H,1-2,5-8,11-14H2,(H,21,23)/t15-,18+/m0/s1.
What are the key properties of 2-chloro-N-[(1R,2S)-2-(piperidin-1-ylmethyl)cyclohexyl]benzamide?
2-chloro-N-[(1R,2S)-2-(piperidin-1-ylmethyl)cyclohexyl]benzamide has a molecular weight of 334.89 g/mol, XLogP of 4.11, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(1R,2S)-2-(piperidin-1-ylmethyl)cyclohexyl]benzamide is sourced from PubChem (CID 24872464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).