N-[(3S)-1-(cyclohexylmethyl)piperidin-3-yl]-3-methylbenzamide

C20H30N2O — CID 25448585

IUPACN-[(3S)-1-(cyclohexylmethyl)piperidin-3-yl]-3-methylbenzamide
SMILESCc1cccc(C(=O)N[C@H]2CCCN(CC3CCCCC3)C2)c1
InChIInChI=1S/C20H30N2O/c1-16-7-5-10-18(13-16)20(23)21-19-11-6-12-22(15-19)14-17-8-3-2-4-9-17/h5,7,10,13,17,19H,2-4,6,8-9,11-12,14-15H2,1H3,(H,21,23)/t19-/m0/s1
InChIKeyZZCROPYZVOOKJR-IBGZPJMESA-N
MW314.47 g/mol
LogP3.77
Rot. Bonds4

About N-[(3S)-1-(cyclohexylmethyl)piperidin-3-yl]-3-methylbenzamide

N-[(3S)-1-(cyclohexylmethyl)piperidin-3-yl]-3-methylbenzamide (PubChem CID 25448585) has the molecular formula C20H30N2O and a molecular weight of 314.47 g/mol. Its IUPAC name is N-[(3S)-1-(cyclohexylmethyl)piperidin-3-yl]-3-methylbenzamide.

Molecular Properties

Compound NameN-[(3S)-1-(cyclohexylmethyl)piperidin-3-yl]-3-methylbenzamide
PubChem CID25448585
Molecular FormulaC20H30N2O
Molecular Weight314.47 g/mol
Exact Mass314.24
IUPAC NameN-[(3S)-1-(cyclohexylmethyl)piperidin-3-yl]-3-methylbenzamide
SMILESCc1cccc(C(=O)N[C@H]2CCCN(CC3CCCCC3)C2)c1
InChIInChI=1S/C20H30N2O/c1-16-7-5-10-18(13-16)20(23)21-19-11-6-12-22(15-19)14-17-8-3-2-4-9-17/h5,7,10,13,17,19H,2-4,6,8-9,11-12,14-15H2,1H3,(H,21,23)/t19-/m0/s1
InChIKeyZZCROPYZVOOKJR-IBGZPJMESA-N
XLogP3.77
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.47
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-cyclooctyl-3-methylbenzamide
CID 966011
N-[(3R)-1-(cyclohexylmethyl)piperidin-3-yl]-3-(pyrazol-1-ylmethyl)benzamide
CID 42592717
N-[(3R)-1-(cyclohexylmethyl)piperidin-3-yl]-1-oxidopyridin-1-ium-4-carboxamide
CID 26407655
N-[1-(cyclohexylmethyl)piperidin-3-yl]-1-methylpyrazole-4-carboxamide
CID 171993172
N-[1-(cyclohexylmethyl)piperidin-3-yl]-2-methylfuran-3-carboxamide
CID 45178957
N-[1-(cyclohexylmethyl)piperidin-3-yl]-5-methyl-1,3-oxazole-4-carboxamide
CID 45196321
N-(1-cyclopropylpyrrolidin-3-yl)-3-methylbenzamide
CID 47938718
3-bromo-N-(1-ethylpiperidin-3-yl)-5-methylbenzamide
CID 113460717
3-methyl-N-(1-propylpiperidin-4-yl)benzamide
CID 17249825
(3-methylphenyl)-[4-(piperidin-1-ylmethyl)piperidin-1-yl]methanone
CID 141155816
2-[[1-(cyclohexylmethyl)piperidin-3-yl]amino]-N-methylpyridine-4-carboxamide
CID 70707861
N-[1-(cyclohexylmethyl)piperidin-3-yl]-6-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide
CID 56702015

Frequently Asked Questions

What is the IUPAC name of N-[(3S)-1-(cyclohexylmethyl)piperidin-3-yl]-3-methylbenzamide?
The IUPAC name of N-[(3S)-1-(cyclohexylmethyl)piperidin-3-yl]-3-methylbenzamide (CID 25448585) is N-[(3S)-1-(cyclohexylmethyl)piperidin-3-yl]-3-methylbenzamide.
What is the SMILES notation for N-[(3S)-1-(cyclohexylmethyl)piperidin-3-yl]-3-methylbenzamide?
The canonical SMILES for N-[(3S)-1-(cyclohexylmethyl)piperidin-3-yl]-3-methylbenzamide is Cc1cccc(C(=O)N[C@H]2CCCN(CC3CCCCC3)C2)c1.
What is the InChIKey of N-[(3S)-1-(cyclohexylmethyl)piperidin-3-yl]-3-methylbenzamide?
The InChIKey is ZZCROPYZVOOKJR-IBGZPJMESA-N. The full InChI is InChI=1S/C20H30N2O/c1-16-7-5-10-18(13-16)20(23)21-19-11-6-12-22(15-19)14-17-8-3-2-4-9-17/h5,7,10,13,17,19H,2-4,6,8-9,11-12,14-15H2,1H3,(H,21,23)/t19-/m0/s1.
What are the key properties of N-[(3S)-1-(cyclohexylmethyl)piperidin-3-yl]-3-methylbenzamide?
N-[(3S)-1-(cyclohexylmethyl)piperidin-3-yl]-3-methylbenzamide has a molecular weight of 314.47 g/mol, XLogP of 3.77, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-1-(cyclohexylmethyl)piperidin-3-yl]-3-methylbenzamide is sourced from PubChem (CID 25448585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).