N-(cyclohexylmethyl)-2-[4-(2-methylpropanoylamino)piperidin-1-yl]benzamide

C23H35N3O2 — CID 42848215

IUPACN-(cyclohexylmethyl)-2-[4-(2-methylpropanoylamino)piperidin-1-yl]benzamide
SMILESCC(C)C(=O)NC1CCN(c2ccccc2C(=O)NCC2CCCCC2)CC1
InChIInChI=1S/C23H35N3O2/c1-17(2)22(27)25-19-12-14-26(15-13-19)21-11-7-6-10-20(21)23(28)24-16-18-8-4-3-5-9-18/h6-7,10-11,17-19H,3-5,8-9,12-16H2,1-2H3,(H,24,28)(H,25,27)
InChIKeyBZFNGXZXMCNWRX-UHFFFAOYSA-N
MW385.55 g/mol
LogP3.74
Rot. Bonds6

About N-(cyclohexylmethyl)-2-[4-(2-methylpropanoylamino)piperidin-1-yl]benzamide

N-(cyclohexylmethyl)-2-[4-(2-methylpropanoylamino)piperidin-1-yl]benzamide (PubChem CID 42848215) has the molecular formula C23H35N3O2 and a molecular weight of 385.55 g/mol. Its IUPAC name is N-(cyclohexylmethyl)-2-[4-(2-methylpropanoylamino)piperidin-1-yl]benzamide.

Molecular Properties

Compound NameN-(cyclohexylmethyl)-2-[4-(2-methylpropanoylamino)piperidin-1-yl]benzamide
PubChem CID42848215
Molecular FormulaC23H35N3O2
Molecular Weight385.55 g/mol
Exact Mass385.27
IUPAC NameN-(cyclohexylmethyl)-2-[4-(2-methylpropanoylamino)piperidin-1-yl]benzamide
SMILESCC(C)C(=O)NC1CCN(c2ccccc2C(=O)NCC2CCCCC2)CC1
InChIInChI=1S/C23H35N3O2/c1-17(2)22(27)25-19-12-14-26(15-13-19)21-11-7-6-10-20(21)23(28)24-16-18-8-4-3-5-9-18/h6-7,10-11,17-19H,3-5,8-9,12-16H2,1-2H3,(H,24,28)(H,25,27)
InChIKeyBZFNGXZXMCNWRX-UHFFFAOYSA-N
XLogP3.74
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.55
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(cyclohexylmethyl)-2-[4-[[(2S)-2-phenylbutanoyl]amino]piperidin-1-yl]benzamide
CID 93324127
N-cyclopropyl-2-[4-(2-methylpropanoylamino)piperidin-1-yl]benzamide
CID 42848047
N-butan-2-yl-2-[4-(2-methylpropanoylamino)piperidin-1-yl]benzamide
CID 42848022
N-[2-(2-methoxyphenyl)ethyl]-2-[4-(2-methylpropanoylamino)piperidin-1-yl]benzamide
CID 46037893
2-[4-(cyclopropanecarbonylamino)piperidin-1-yl]-N-(cyclopropylmethyl)benzamide
CID 42848145
2,4-dichloro-N-[1-[2-(cyclopropylmethylcarbamoyl)phenyl]piperidin-4-yl]benzamide
CID 42848150
N-[2-(2-methoxyphenyl)ethyl]-2-[4-(2-methylbutanoylamino)piperidin-1-yl]benzamide
CID 46037912
2-[4-(cyclopentanecarbonylamino)piperidin-1-yl]-N-[2-(2-methoxyphenyl)ethyl]benzamide
CID 46037903
2-(4-acetamidopiperidin-1-yl)-N-(oxolan-2-ylmethyl)benzamide
CID 46037624
N-cyclohexyl-2-pyrrolidin-1-ylbenzamide
CID 168514596
N-(2-methoxyethyl)-2-[4-[(2-phenylacetyl)amino]piperidin-1-yl]benzamide
CID 42847988
2-[4-[(2-chlorobenzoyl)amino]piperidin-1-yl]-N-[2-(2-methoxyphenyl)ethyl]benzamide
CID 46037896

Frequently Asked Questions

What is the IUPAC name of N-(cyclohexylmethyl)-2-[4-(2-methylpropanoylamino)piperidin-1-yl]benzamide?
The IUPAC name of N-(cyclohexylmethyl)-2-[4-(2-methylpropanoylamino)piperidin-1-yl]benzamide (CID 42848215) is N-(cyclohexylmethyl)-2-[4-(2-methylpropanoylamino)piperidin-1-yl]benzamide.
What is the SMILES notation for N-(cyclohexylmethyl)-2-[4-(2-methylpropanoylamino)piperidin-1-yl]benzamide?
The canonical SMILES for N-(cyclohexylmethyl)-2-[4-(2-methylpropanoylamino)piperidin-1-yl]benzamide is CC(C)C(=O)NC1CCN(c2ccccc2C(=O)NCC2CCCCC2)CC1.
What is the InChIKey of N-(cyclohexylmethyl)-2-[4-(2-methylpropanoylamino)piperidin-1-yl]benzamide?
The InChIKey is BZFNGXZXMCNWRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H35N3O2/c1-17(2)22(27)25-19-12-14-26(15-13-19)21-11-7-6-10-20(21)23(28)24-16-18-8-4-3-5-9-18/h6-7,10-11,17-19H,3-5,8-9,12-16H2,1-2H3,(H,24,28)(H,25,27).
What are the key properties of N-(cyclohexylmethyl)-2-[4-(2-methylpropanoylamino)piperidin-1-yl]benzamide?
N-(cyclohexylmethyl)-2-[4-(2-methylpropanoylamino)piperidin-1-yl]benzamide has a molecular weight of 385.55 g/mol, XLogP of 3.74, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexylmethyl)-2-[4-(2-methylpropanoylamino)piperidin-1-yl]benzamide is sourced from PubChem (CID 42848215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).