N-[1-[1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl]piperidin-4-yl]-2-methylbenzamide

C23H34N4O3 — CID 55851155

IUPACN-[1-[1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl]piperidin-4-yl]-2-methylbenzamide
SMILESCc1ccccc1C(=O)NC1CCN(C(C)C(=O)NC(=O)NC2CCCCC2)CC1
InChIInChI=1S/C23H34N4O3/c1-16-8-6-7-11-20(16)22(29)24-19-12-14-27(15-13-19)17(2)21(28)26-23(30)25-18-9-4-3-5-10-18/h6-8,11,17-19H,3-5,9-10,12-15H2,1-2H3,(H,24,29)(H2,25,26,28,30)
InChIKeyWCTMYPXTHHWGHA-UHFFFAOYSA-N
MW414.55 g/mol
LogP2.74
Rot. Bonds5

About N-[1-[1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl]piperidin-4-yl]-2-methylbenzamide

N-[1-[1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl]piperidin-4-yl]-2-methylbenzamide (PubChem CID 55851155) has the molecular formula C23H34N4O3 and a molecular weight of 414.55 g/mol. Its IUPAC name is N-[1-[1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl]piperidin-4-yl]-2-methylbenzamide.

Molecular Properties

Compound NameN-[1-[1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl]piperidin-4-yl]-2-methylbenzamide
PubChem CID55851155
Molecular FormulaC23H34N4O3
Molecular Weight414.55 g/mol
Exact Mass414.26
IUPAC NameN-[1-[1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl]piperidin-4-yl]-2-methylbenzamide
SMILESCc1ccccc1C(=O)NC1CCN(C(C)C(=O)NC(=O)NC2CCCCC2)CC1
InChIInChI=1S/C23H34N4O3/c1-16-8-6-7-11-20(16)22(29)24-19-12-14-27(15-13-19)17(2)21(28)26-23(30)25-18-9-4-3-5-10-18/h6-8,11,17-19H,3-5,9-10,12-15H2,1-2H3,(H,24,29)(H2,25,26,28,30)
InChIKeyWCTMYPXTHHWGHA-UHFFFAOYSA-N
XLogP2.74
TPSA90.54 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.55
LogP ≤ 52.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze N-[1-[1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl]piperidin-4-yl]-2-methylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-N-(cyclohexylcarbamoyl)-2-[4-[(2-methylphenyl)methyl]piperazin-1-yl]propanamide
CID 9257137
N-cyclopentyl-4-[(2-methylbenzoyl)amino]piperidine-1-carboxamide
CID 110822504
N-(cyclohexylcarbamoyl)-2-(4-phenylpiperidin-1-yl)propanamide
CID 55544187
N-[1-[1-(cyclopropylcarbamoylamino)-1-oxopropan-2-yl]piperidin-4-yl]benzamide
CID 51289715
(2S)-N-(cyclopentylcarbamoyl)-2-(4-phenylpiperazin-1-yl)propanamide
CID 9250310
(2R)-2-[4-(2-chlorophenyl)piperazin-1-yl]-N-(cyclohexylcarbamoyl)propanamide
CID 8704500
(2S)-2-[4-(benzenesulfonyl)piperazin-1-yl]-N-(cyclohexylcarbamoyl)propanamide
CID 8743246
1-[1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl]piperidine-4-carboxylic acid
CID 119906559
2-[4-(cyclohexylcarbamoylamino)piperidin-1-yl]-N-cyclopropylpropanamide
CID 60573199
N,N-dimethyl-4-[(2-methylbenzoyl)amino]piperidine-1-carboxamide
CID 108562715
2-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-N-(cyclohexylcarbamoyl)propanamide;hydrochloride
CID 120760402
(2R)-N-(cyclohexylcarbamoyl)-2-morpholin-4-ylpropanamide
CID 8903762

Frequently Asked Questions

What is the IUPAC name of N-[1-[1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl]piperidin-4-yl]-2-methylbenzamide?
The IUPAC name of N-[1-[1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl]piperidin-4-yl]-2-methylbenzamide (CID 55851155) is N-[1-[1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl]piperidin-4-yl]-2-methylbenzamide.
What is the SMILES notation for N-[1-[1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl]piperidin-4-yl]-2-methylbenzamide?
The canonical SMILES for N-[1-[1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl]piperidin-4-yl]-2-methylbenzamide is Cc1ccccc1C(=O)NC1CCN(C(C)C(=O)NC(=O)NC2CCCCC2)CC1.
What is the InChIKey of N-[1-[1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl]piperidin-4-yl]-2-methylbenzamide?
The InChIKey is WCTMYPXTHHWGHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H34N4O3/c1-16-8-6-7-11-20(16)22(29)24-19-12-14-27(15-13-19)17(2)21(28)26-23(30)25-18-9-4-3-5-10-18/h6-8,11,17-19H,3-5,9-10,12-15H2,1-2H3,(H,24,29)(H2,25,26,28,30).
What are the key properties of N-[1-[1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl]piperidin-4-yl]-2-methylbenzamide?
N-[1-[1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl]piperidin-4-yl]-2-methylbenzamide has a molecular weight of 414.55 g/mol, XLogP of 2.74, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl]piperidin-4-yl]-2-methylbenzamide is sourced from PubChem (CID 55851155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).