(3S)-1-[(2R)-1-(cyclohexylamino)-1-oxopropan-2-yl]piperidine-3-carboxamide

C15H27N3O2 — CID 8543236

IUPAC(3S)-1-[(2R)-1-(cyclohexylamino)-1-oxopropan-2-yl]piperidine-3-carboxamide
SMILESC[C@H](C(=O)NC1CCCCC1)N1CCC[C@H](C(N)=O)C1
InChIInChI=1S/C15H27N3O2/c1-11(15(20)17-13-7-3-2-4-8-13)18-9-5-6-12(10-18)14(16)19/h11-13H,2-10H2,1H3,(H2,16,19)(H,17,20)/t11-,12+/m1/s1
InChIKeyHUWHTURYGAOKDA-NEPJUHHUSA-N
MW281.40 g/mol
LogP1.02
Rot. Bonds4

About (3S)-1-[(2R)-1-(cyclohexylamino)-1-oxopropan-2-yl]piperidine-3-carboxamide

(3S)-1-[(2R)-1-(cyclohexylamino)-1-oxopropan-2-yl]piperidine-3-carboxamide (PubChem CID 8543236) has the molecular formula C15H27N3O2 and a molecular weight of 281.40 g/mol. Its IUPAC name is (3S)-1-[(2R)-1-(cyclohexylamino)-1-oxopropan-2-yl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-[(2R)-1-(cyclohexylamino)-1-oxopropan-2-yl]piperidine-3-carboxamide
PubChem CID8543236
Molecular FormulaC15H27N3O2
Molecular Weight281.40 g/mol
Exact Mass281.21
IUPAC Name(3S)-1-[(2R)-1-(cyclohexylamino)-1-oxopropan-2-yl]piperidine-3-carboxamide
SMILESC[C@H](C(=O)NC1CCCCC1)N1CCC[C@H](C(N)=O)C1
InChIInChI=1S/C15H27N3O2/c1-11(15(20)17-13-7-3-2-4-8-13)18-9-5-6-12(10-18)14(16)19/h11-13H,2-10H2,1H3,(H2,16,19)(H,17,20)/t11-,12+/m1/s1
InChIKeyHUWHTURYGAOKDA-NEPJUHHUSA-N
XLogP1.02
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

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Related Compounds

(3R)-1-[(2R)-1-amino-1-oxopropan-2-yl]-N-cyclohexylpiperidine-3-carboxamide
CID 100836209
(3S)-N-cyclohexyl-1-[(2R)-1-(ethylcarbamoylamino)-1-oxopropan-2-yl]piperidine-3-carboxamide
CID 52508761
(3S)-1-[(2S)-1-(cyclohexylamino)-1-oxopropan-2-yl]-N-phenylpiperidine-3-carboxamide
CID 51500739
(3R)-1-propan-2-ylpiperidine-3-carboxamide
CID 58431105
N-cyclopentyl-2-[3-[1-(methylamino)ethyl]piperidin-1-yl]propanamide
CID 63853758
2-[3-(2-aminoethyl)piperidin-1-yl]-N-cyclopentylpropanamide
CID 63764074
ethyl 1-[1-(cyclopentylcarbamoylamino)-1-oxopropan-2-yl]piperidine-3-carboxylate
CID 46631177
N-cyclopentyl-2-[3-(ethylaminomethyl)piperidin-1-yl]propanamide
CID 63849664
N-cyclopentyl-2-[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]propanamide
CID 79411085
2-[4-(cyclohexylcarbamoylamino)piperidin-1-yl]-N-cyclopropylpropanamide
CID 60573199
N-cyclopentyl-2-(3-methylpiperazin-1-yl)propanamide
CID 65447521
(3S)-1-[(2R)-1-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-1-oxopropan-2-yl]piperidine-3-carboxamide
CID 9304674

Frequently Asked Questions

What is the IUPAC name of (3S)-1-[(2R)-1-(cyclohexylamino)-1-oxopropan-2-yl]piperidine-3-carboxamide?
The IUPAC name of (3S)-1-[(2R)-1-(cyclohexylamino)-1-oxopropan-2-yl]piperidine-3-carboxamide (CID 8543236) is (3S)-1-[(2R)-1-(cyclohexylamino)-1-oxopropan-2-yl]piperidine-3-carboxamide.
What is the SMILES notation for (3S)-1-[(2R)-1-(cyclohexylamino)-1-oxopropan-2-yl]piperidine-3-carboxamide?
The canonical SMILES for (3S)-1-[(2R)-1-(cyclohexylamino)-1-oxopropan-2-yl]piperidine-3-carboxamide is C[C@H](C(=O)NC1CCCCC1)N1CCC[C@H](C(N)=O)C1.
What is the InChIKey of (3S)-1-[(2R)-1-(cyclohexylamino)-1-oxopropan-2-yl]piperidine-3-carboxamide?
The InChIKey is HUWHTURYGAOKDA-NEPJUHHUSA-N. The full InChI is InChI=1S/C15H27N3O2/c1-11(15(20)17-13-7-3-2-4-8-13)18-9-5-6-12(10-18)14(16)19/h11-13H,2-10H2,1H3,(H2,16,19)(H,17,20)/t11-,12+/m1/s1.
What are the key properties of (3S)-1-[(2R)-1-(cyclohexylamino)-1-oxopropan-2-yl]piperidine-3-carboxamide?
(3S)-1-[(2R)-1-(cyclohexylamino)-1-oxopropan-2-yl]piperidine-3-carboxamide has a molecular weight of 281.40 g/mol, XLogP of 1.02, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[(2R)-1-(cyclohexylamino)-1-oxopropan-2-yl]piperidine-3-carboxamide is sourced from PubChem (CID 8543236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).