N-cyclohexyl-3-piperidin-3-ylbenzamide;hydrochloride

C18H27ClN2O — CID 172654417

IUPACN-cyclohexyl-3-piperidin-3-ylbenzamide;hydrochloride
SMILESCl.O=C(NC1CCCCC1)c1cccc(C2CCCNC2)c1
InChIInChI=1S/C18H26N2O.ClH/c21-18(20-17-9-2-1-3-10-17)15-7-4-6-14(12-15)16-8-5-11-19-13-16;/h4,6-7,12,16-17,19H,1-3,5,8-11,13H2,(H,20,21);1H
InChIKeyNSVXOFOGAOKDQE-UHFFFAOYSA-N
MW322.88 g/mol
LogP3.64
Rot. Bonds3

About N-cyclohexyl-3-piperidin-3-ylbenzamide;hydrochloride

N-cyclohexyl-3-piperidin-3-ylbenzamide;hydrochloride (PubChem CID 172654417) has the molecular formula C18H27ClN2O and a molecular weight of 322.88 g/mol. Its IUPAC name is N-cyclohexyl-3-piperidin-3-ylbenzamide;hydrochloride.

Molecular Properties

Compound NameN-cyclohexyl-3-piperidin-3-ylbenzamide;hydrochloride
PubChem CID172654417
Molecular FormulaC18H27ClN2O
Molecular Weight322.88 g/mol
Exact Mass322.18
IUPAC NameN-cyclohexyl-3-piperidin-3-ylbenzamide;hydrochloride
SMILESCl.O=C(NC1CCCCC1)c1cccc(C2CCCNC2)c1
InChIInChI=1S/C18H26N2O.ClH/c21-18(20-17-9-2-1-3-10-17)15-7-4-6-14(12-15)16-8-5-11-19-13-16;/h4,6-7,12,16-17,19H,1-3,5,8-11,13H2,(H,20,21);1H
InChIKeyNSVXOFOGAOKDQE-UHFFFAOYSA-N
XLogP3.64
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.88
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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methyl 3-[(3R)-piperidin-3-yl]benzoate;hydrochloride
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4-[3-(cyclohexylcarbamoyl)phenyl]cyclohexane-1-carboxylic acid
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3-bromo-N-piperidin-3-ylbenzamide
CID 63321592
N-piperidin-3-ylbenzamide
CID 22017045
3-[3-(cyclohexylcarbamoyl)phenyl]-N-ethylpiperidine-1-carboxamide
CID 50788931
3-methylsulfonyl-N-piperidin-3-ylbenzamide;hydrochloride
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CID 104982407
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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-3-piperidin-3-ylbenzamide;hydrochloride?
The IUPAC name of N-cyclohexyl-3-piperidin-3-ylbenzamide;hydrochloride (CID 172654417) is N-cyclohexyl-3-piperidin-3-ylbenzamide;hydrochloride.
What is the SMILES notation for N-cyclohexyl-3-piperidin-3-ylbenzamide;hydrochloride?
The canonical SMILES for N-cyclohexyl-3-piperidin-3-ylbenzamide;hydrochloride is Cl.O=C(NC1CCCCC1)c1cccc(C2CCCNC2)c1.
What is the InChIKey of N-cyclohexyl-3-piperidin-3-ylbenzamide;hydrochloride?
The InChIKey is NSVXOFOGAOKDQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O.ClH/c21-18(20-17-9-2-1-3-10-17)15-7-4-6-14(12-15)16-8-5-11-19-13-16;/h4,6-7,12,16-17,19H,1-3,5,8-11,13H2,(H,20,21);1H.
What are the key properties of N-cyclohexyl-3-piperidin-3-ylbenzamide;hydrochloride?
N-cyclohexyl-3-piperidin-3-ylbenzamide;hydrochloride has a molecular weight of 322.88 g/mol, XLogP of 3.64, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-3-piperidin-3-ylbenzamide;hydrochloride is sourced from PubChem (CID 172654417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).