N-benzyl-1-[1-(cyclopentylcarbamoylamino)-1-oxopropan-2-yl]piperidine-4-carboxamide

C22H32N4O3 — CID 46631267

IUPACN-benzyl-1-[1-(cyclopentylcarbamoylamino)-1-oxopropan-2-yl]piperidine-4-carboxamide
SMILESCC(C(=O)NC(=O)NC1CCCC1)N1CCC(C(=O)NCc2ccccc2)CC1
InChIInChI=1S/C22H32N4O3/c1-16(20(27)25-22(29)24-19-9-5-6-10-19)26-13-11-18(12-14-26)21(28)23-15-17-7-3-2-4-8-17/h2-4,7-8,16,18-19H,5-6,9-15H2,1H3,(H,23,28)(H2,24,25,27,29)
InChIKeyGHULYUCXJOHVSN-UHFFFAOYSA-N
MW400.52 g/mol
LogP2.17
Rot. Bonds6

About N-benzyl-1-[1-(cyclopentylcarbamoylamino)-1-oxopropan-2-yl]piperidine-4-carboxamide

N-benzyl-1-[1-(cyclopentylcarbamoylamino)-1-oxopropan-2-yl]piperidine-4-carboxamide (PubChem CID 46631267) has the molecular formula C22H32N4O3 and a molecular weight of 400.52 g/mol. Its IUPAC name is N-benzyl-1-[1-(cyclopentylcarbamoylamino)-1-oxopropan-2-yl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-benzyl-1-[1-(cyclopentylcarbamoylamino)-1-oxopropan-2-yl]piperidine-4-carboxamide
PubChem CID46631267
Molecular FormulaC22H32N4O3
Molecular Weight400.52 g/mol
Exact Mass400.25
IUPAC NameN-benzyl-1-[1-(cyclopentylcarbamoylamino)-1-oxopropan-2-yl]piperidine-4-carboxamide
SMILESCC(C(=O)NC(=O)NC1CCCC1)N1CCC(C(=O)NCc2ccccc2)CC1
InChIInChI=1S/C22H32N4O3/c1-16(20(27)25-22(29)24-19-9-5-6-10-19)26-13-11-18(12-14-26)21(28)23-15-17-7-3-2-4-8-17/h2-4,7-8,16,18-19H,5-6,9-15H2,1H3,(H,23,28)(H2,24,25,27,29)
InChIKeyGHULYUCXJOHVSN-UHFFFAOYSA-N
XLogP2.17
TPSA90.54 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.52
LogP ≤ 52.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze N-benzyl-1-[1-(cyclopentylcarbamoylamino)-1-oxopropan-2-yl]piperidine-4-carboxamide with MolForge

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Related Compounds

N-(cyclohexylcarbamoyl)-2-(4-phenylpiperidin-1-yl)propanamide
CID 55544187
methyl 1-[(2S)-1-(benzylcarbamoylamino)-1-oxopropan-2-yl]piperidine-4-carboxylate
CID 40740388
N-benzyl-1-[(2R)-1-(2-methylsulfanylanilino)-1-oxopropan-2-yl]piperidine-4-carboxamide
CID 27106897
N-benzyl-1-[(2R)-1-(2-fluoroanilino)-1-oxopropan-2-yl]piperidine-4-carboxamide
CID 25479597
1-[1-(benzylamino)-1-oxopropan-2-yl]piperidine-4-carboxylic acid;hydrochloride
CID 119906793
2-(4-benzyl-1,4-diazepan-1-yl)-N-(cyclohexylcarbamoyl)propanamide
CID 55511454
1-[1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl]piperidine-4-carboxylic acid
CID 119906559
(2S)-N-(cyclopentylcarbamoyl)-2-(4-phenylpiperazin-1-yl)propanamide
CID 9250310
N-benzyl-1-[(2R)-1-(3-chloro-2-methylanilino)-1-oxopropan-2-yl]piperidine-4-carboxamide
CID 25494160
1-[(2S)-1-(cyclopentylamino)-1-oxopropan-2-yl]-N-phenylpiperidine-4-carboxamide
CID 30795732
N-benzyl-1-[1-(2-nitroanilino)-1-oxopropan-2-yl]piperidine-4-carboxamide
CID 45351239
N-(benzylcarbamoyl)-2-[3-(methylamino)piperidin-1-yl]propanamide;hydrochloride
CID 119918549

Frequently Asked Questions

What is the IUPAC name of N-benzyl-1-[1-(cyclopentylcarbamoylamino)-1-oxopropan-2-yl]piperidine-4-carboxamide?
The IUPAC name of N-benzyl-1-[1-(cyclopentylcarbamoylamino)-1-oxopropan-2-yl]piperidine-4-carboxamide (CID 46631267) is N-benzyl-1-[1-(cyclopentylcarbamoylamino)-1-oxopropan-2-yl]piperidine-4-carboxamide.
What is the SMILES notation for N-benzyl-1-[1-(cyclopentylcarbamoylamino)-1-oxopropan-2-yl]piperidine-4-carboxamide?
The canonical SMILES for N-benzyl-1-[1-(cyclopentylcarbamoylamino)-1-oxopropan-2-yl]piperidine-4-carboxamide is CC(C(=O)NC(=O)NC1CCCC1)N1CCC(C(=O)NCc2ccccc2)CC1.
What is the InChIKey of N-benzyl-1-[1-(cyclopentylcarbamoylamino)-1-oxopropan-2-yl]piperidine-4-carboxamide?
The InChIKey is GHULYUCXJOHVSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N4O3/c1-16(20(27)25-22(29)24-19-9-5-6-10-19)26-13-11-18(12-14-26)21(28)23-15-17-7-3-2-4-8-17/h2-4,7-8,16,18-19H,5-6,9-15H2,1H3,(H,23,28)(H2,24,25,27,29).
What are the key properties of N-benzyl-1-[1-(cyclopentylcarbamoylamino)-1-oxopropan-2-yl]piperidine-4-carboxamide?
N-benzyl-1-[1-(cyclopentylcarbamoylamino)-1-oxopropan-2-yl]piperidine-4-carboxamide has a molecular weight of 400.52 g/mol, XLogP of 2.17, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-1-[1-(cyclopentylcarbamoylamino)-1-oxopropan-2-yl]piperidine-4-carboxamide is sourced from PubChem (CID 46631267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).