N-(cyclohexylcarbamoyl)-2-(4-phenylpiperidin-1-yl)propanamide

C21H31N3O2 — CID 55544187

IUPACN-(cyclohexylcarbamoyl)-2-(4-phenylpiperidin-1-yl)propanamide
SMILESCC(C(=O)NC(=O)NC1CCCCC1)N1CCC(c2ccccc2)CC1
InChIInChI=1S/C21H31N3O2/c1-16(20(25)23-21(26)22-19-10-6-3-7-11-19)24-14-12-18(13-15-24)17-8-4-2-5-9-17/h2,4-5,8-9,16,18-19H,3,6-7,10-15H2,1H3,(H2,22,23,25,26)
InChIKeyQJONBDQIWYGONM-UHFFFAOYSA-N
MW357.50 g/mol
LogP3.41
Rot. Bonds4

About N-(cyclohexylcarbamoyl)-2-(4-phenylpiperidin-1-yl)propanamide

N-(cyclohexylcarbamoyl)-2-(4-phenylpiperidin-1-yl)propanamide (PubChem CID 55544187) has the molecular formula C21H31N3O2 and a molecular weight of 357.50 g/mol. Its IUPAC name is N-(cyclohexylcarbamoyl)-2-(4-phenylpiperidin-1-yl)propanamide.

Molecular Properties

Compound NameN-(cyclohexylcarbamoyl)-2-(4-phenylpiperidin-1-yl)propanamide
PubChem CID55544187
Molecular FormulaC21H31N3O2
Molecular Weight357.50 g/mol
Exact Mass357.24
IUPAC NameN-(cyclohexylcarbamoyl)-2-(4-phenylpiperidin-1-yl)propanamide
SMILESCC(C(=O)NC(=O)NC1CCCCC1)N1CCC(c2ccccc2)CC1
InChIInChI=1S/C21H31N3O2/c1-16(20(25)23-21(26)22-19-10-6-3-7-11-19)24-14-12-18(13-15-24)17-8-4-2-5-9-17/h2,4-5,8-9,16,18-19H,3,6-7,10-15H2,1H3,(H2,22,23,25,26)
InChIKeyQJONBDQIWYGONM-UHFFFAOYSA-N
XLogP3.41
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.50
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-N-(cyclopentylcarbamoyl)-2-(4-phenylpiperazin-1-yl)propanamide
CID 9250310
2-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-N-(cyclohexylcarbamoyl)propanamide;hydrochloride
CID 120760402
N-benzyl-1-[1-(cyclopentylcarbamoylamino)-1-oxopropan-2-yl]piperidine-4-carboxamide
CID 46631267
1-[1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl]piperidine-4-carboxylic acid
CID 119906559
(2S)-2-[4-(benzenesulfonyl)piperazin-1-yl]-N-(cyclohexylcarbamoyl)propanamide
CID 8743246
N-[1-[1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl]piperidin-4-yl]-2-methylbenzamide
CID 55851155
(2R)-N-phenyl-2-(4-phenylpiperidin-1-yl)propanamide
CID 125483089
(2R)-2-[4-(2-chlorophenyl)piperazin-1-yl]-N-(cyclohexylcarbamoyl)propanamide
CID 8704500
N-[1-[1-(cyclopropylcarbamoylamino)-1-oxopropan-2-yl]piperidin-4-yl]benzamide
CID 51289715
2-(4-benzyl-1,4-diazepan-1-yl)-N-(cyclohexylcarbamoyl)propanamide
CID 55511454
(2S)-N-(cyclopentylcarbamoyl)-2-[4-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]propanamide
CID 96928240
N-(cyclopentylcarbamoyl)-2-[4-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]propanamide
CID 75424924

Frequently Asked Questions

What is the IUPAC name of N-(cyclohexylcarbamoyl)-2-(4-phenylpiperidin-1-yl)propanamide?
The IUPAC name of N-(cyclohexylcarbamoyl)-2-(4-phenylpiperidin-1-yl)propanamide (CID 55544187) is N-(cyclohexylcarbamoyl)-2-(4-phenylpiperidin-1-yl)propanamide.
What is the SMILES notation for N-(cyclohexylcarbamoyl)-2-(4-phenylpiperidin-1-yl)propanamide?
The canonical SMILES for N-(cyclohexylcarbamoyl)-2-(4-phenylpiperidin-1-yl)propanamide is CC(C(=O)NC(=O)NC1CCCCC1)N1CCC(c2ccccc2)CC1.
What is the InChIKey of N-(cyclohexylcarbamoyl)-2-(4-phenylpiperidin-1-yl)propanamide?
The InChIKey is QJONBDQIWYGONM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31N3O2/c1-16(20(25)23-21(26)22-19-10-6-3-7-11-19)24-14-12-18(13-15-24)17-8-4-2-5-9-17/h2,4-5,8-9,16,18-19H,3,6-7,10-15H2,1H3,(H2,22,23,25,26).
What are the key properties of N-(cyclohexylcarbamoyl)-2-(4-phenylpiperidin-1-yl)propanamide?
N-(cyclohexylcarbamoyl)-2-(4-phenylpiperidin-1-yl)propanamide has a molecular weight of 357.50 g/mol, XLogP of 3.41, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexylcarbamoyl)-2-(4-phenylpiperidin-1-yl)propanamide is sourced from PubChem (CID 55544187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).