(3S)-N-cyclohexyl-1-[(2R)-1-(ethylcarbamoylamino)-1-oxopropan-2-yl]piperidine-3-carboxamide

C18H32N4O3 — CID 52508761

IUPAC(3S)-N-cyclohexyl-1-[(2R)-1-(ethylcarbamoylamino)-1-oxopropan-2-yl]piperidine-3-carboxamide
SMILESCCNC(=O)NC(=O)[C@@H](C)N1CCC[C@H](C(=O)NC2CCCCC2)C1
InChIInChI=1S/C18H32N4O3/c1-3-19-18(25)21-16(23)13(2)22-11-7-8-14(12-22)17(24)20-15-9-5-4-6-10-15/h13-15H,3-12H2,1-2H3,(H,20,24)(H2,19,21,23,25)/t13-,14+/m1/s1
InChIKeyRSAHQCVBANQQRC-KGLIPLIRSA-N
MW352.48 g/mol
LogP1.38
Rot. Bonds5

About (3S)-N-cyclohexyl-1-[(2R)-1-(ethylcarbamoylamino)-1-oxopropan-2-yl]piperidine-3-carboxamide

(3S)-N-cyclohexyl-1-[(2R)-1-(ethylcarbamoylamino)-1-oxopropan-2-yl]piperidine-3-carboxamide (PubChem CID 52508761) has the molecular formula C18H32N4O3 and a molecular weight of 352.48 g/mol. Its IUPAC name is (3S)-N-cyclohexyl-1-[(2R)-1-(ethylcarbamoylamino)-1-oxopropan-2-yl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-cyclohexyl-1-[(2R)-1-(ethylcarbamoylamino)-1-oxopropan-2-yl]piperidine-3-carboxamide
PubChem CID52508761
Molecular FormulaC18H32N4O3
Molecular Weight352.48 g/mol
Exact Mass352.25
IUPAC Name(3S)-N-cyclohexyl-1-[(2R)-1-(ethylcarbamoylamino)-1-oxopropan-2-yl]piperidine-3-carboxamide
SMILESCCNC(=O)NC(=O)[C@@H](C)N1CCC[C@H](C(=O)NC2CCCCC2)C1
InChIInChI=1S/C18H32N4O3/c1-3-19-18(25)21-16(23)13(2)22-11-7-8-14(12-22)17(24)20-15-9-5-4-6-10-15/h13-15H,3-12H2,1-2H3,(H,20,24)(H2,19,21,23,25)/t13-,14+/m1/s1
InChIKeyRSAHQCVBANQQRC-KGLIPLIRSA-N
XLogP1.38
TPSA90.54 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.48
LogP ≤ 51.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze (3S)-N-cyclohexyl-1-[(2R)-1-(ethylcarbamoylamino)-1-oxopropan-2-yl]piperidine-3-carboxamide with MolForge

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Related Compounds

(3S)-1-[(2S)-1-(cyclopentylcarbamoylamino)-1-oxopropan-2-yl]-N-hexylpiperidine-3-carboxamide
CID 52504181
(3R)-1-[(2R)-1-amino-1-oxopropan-2-yl]-N-cyclohexylpiperidine-3-carboxamide
CID 100836209
ethyl 1-[1-(cyclopentylcarbamoylamino)-1-oxopropan-2-yl]piperidine-3-carboxylate
CID 46631177
(3S)-1-[(2R)-1-(cyclohexylamino)-1-oxopropan-2-yl]piperidine-3-carboxamide
CID 8543236
N-(ethylcarbamoyl)-2-[3-(hydroxymethyl)piperidin-1-yl]propanamide
CID 60638694
2-[4-(cyclohexanecarbonyl)piperazin-1-yl]-N-(ethylcarbamoyl)propanamide
CID 51094827
(2S)-2-[4-(cyclohexanecarbonyl)piperazin-1-yl]-N-(ethylcarbamoyl)propanamide
CID 94812868
2-[3-[(cyclopropylamino)methyl]piperidin-1-yl]-N-(ethylcarbamoyl)propanamide
CID 63848300
(2R)-2-[(4aS,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-N-(ethylcarbamoyl)propanamide
CID 11931790
2-[3-(2-aminoethyl)piperidin-1-yl]-N-(ethylcarbamoyl)propanamide
CID 63763714
(3S)-N-cyclopropyl-1-[(2R)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]piperidine-3-carboxamide
CID 95104508
3-N-cyclooctyl-1-N-(2-methylpropyl)piperidine-1,3-dicarboxamide
CID 166212919

Frequently Asked Questions

What is the IUPAC name of (3S)-N-cyclohexyl-1-[(2R)-1-(ethylcarbamoylamino)-1-oxopropan-2-yl]piperidine-3-carboxamide?
The IUPAC name of (3S)-N-cyclohexyl-1-[(2R)-1-(ethylcarbamoylamino)-1-oxopropan-2-yl]piperidine-3-carboxamide (CID 52508761) is (3S)-N-cyclohexyl-1-[(2R)-1-(ethylcarbamoylamino)-1-oxopropan-2-yl]piperidine-3-carboxamide.
What is the SMILES notation for (3S)-N-cyclohexyl-1-[(2R)-1-(ethylcarbamoylamino)-1-oxopropan-2-yl]piperidine-3-carboxamide?
The canonical SMILES for (3S)-N-cyclohexyl-1-[(2R)-1-(ethylcarbamoylamino)-1-oxopropan-2-yl]piperidine-3-carboxamide is CCNC(=O)NC(=O)[C@@H](C)N1CCC[C@H](C(=O)NC2CCCCC2)C1.
What is the InChIKey of (3S)-N-cyclohexyl-1-[(2R)-1-(ethylcarbamoylamino)-1-oxopropan-2-yl]piperidine-3-carboxamide?
The InChIKey is RSAHQCVBANQQRC-KGLIPLIRSA-N. The full InChI is InChI=1S/C18H32N4O3/c1-3-19-18(25)21-16(23)13(2)22-11-7-8-14(12-22)17(24)20-15-9-5-4-6-10-15/h13-15H,3-12H2,1-2H3,(H,20,24)(H2,19,21,23,25)/t13-,14+/m1/s1.
What are the key properties of (3S)-N-cyclohexyl-1-[(2R)-1-(ethylcarbamoylamino)-1-oxopropan-2-yl]piperidine-3-carboxamide?
(3S)-N-cyclohexyl-1-[(2R)-1-(ethylcarbamoylamino)-1-oxopropan-2-yl]piperidine-3-carboxamide has a molecular weight of 352.48 g/mol, XLogP of 1.38, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-cyclohexyl-1-[(2R)-1-(ethylcarbamoylamino)-1-oxopropan-2-yl]piperidine-3-carboxamide is sourced from PubChem (CID 52508761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).