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

C15H28N3O2+ — CID 8543235

IUPAC(3S)-1-[(2R)-1-(cyclohexylamino)-1-oxopropan-2-yl]piperidin-1-ium-3-carboxamide
SMILESC[C@H](C(=O)NC1CCCCC1)[NH+]1CCC[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)/p+1/t11-,12+/m1/s1
InChIKeyHUWHTURYGAOKDA-NEPJUHHUSA-O
MW282.41 g/mol
LogP-0.40
Rot. Bonds4

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

(3S)-1-[(2R)-1-(cyclohexylamino)-1-oxopropan-2-yl]piperidin-1-ium-3-carboxamide (PubChem CID 8543235) has the molecular formula C15H28N3O2+ and a molecular weight of 282.41 g/mol. Its IUPAC name is (3S)-1-[(2R)-1-(cyclohexylamino)-1-oxopropan-2-yl]piperidin-1-ium-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-[(2R)-1-(cyclohexylamino)-1-oxopropan-2-yl]piperidin-1-ium-3-carboxamide
PubChem CID8543235
Molecular FormulaC15H28N3O2+
Molecular Weight282.41 g/mol
Exact Mass282.22
IUPAC Name(3S)-1-[(2R)-1-(cyclohexylamino)-1-oxopropan-2-yl]piperidin-1-ium-3-carboxamide
SMILESC[C@H](C(=O)NC1CCCCC1)[NH+]1CCC[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)/p+1/t11-,12+/m1/s1
InChIKeyHUWHTURYGAOKDA-NEPJUHHUSA-O
XLogP-0.40
TPSA76.63 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.41
LogP ≤ 5-0.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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

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Related Compounds

(3S)-1-[(2R)-1-oxo-1-(2,3,4-trifluoroanilino)propan-2-yl]piperidin-1-ium-3-carboxamide
CID 9304819
(3S)-1-[(2S)-1-(3-methylanilino)-1-oxopropan-2-yl]piperidin-1-ium-3-carboxamide
CID 9304736
(3S)-1-[(2R)-1-(3-methylanilino)-1-oxopropan-2-yl]piperidin-1-ium-3-carboxamide
CID 9304733
(3S)-1-[(2R)-1-[2-[(2R)-butan-2-yl]anilino]-1-oxopropan-2-yl]piperidin-1-ium-3-carboxamide
CID 9304837
(3S)-1-[(2S)-1-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-1-oxopropan-2-yl]piperidin-1-ium-3-carboxamide
CID 9304671
(3S)-1-[(2S)-1-(3-methoxyanilino)-1-oxopropan-2-yl]piperidin-1-ium-3-carboxamide
CID 9304786
(3S)-1-[(2R)-1-(cyclohexylamino)-1-oxopropan-2-yl]piperidine-3-carboxamide
CID 8543236
(2S)-N-cyclopropyl-2-(4-piperidin-1-ium-1-ylpiperidin-1-ium-1-yl)propanamide
CID 7437060
(2S)-N-(cyclohexylcarbamoyl)-2-(4-methylpiperazine-1,4-diium-1-yl)propanamide
CID 8896287
(3S)-1-[(2S)-1-[benzyl(ethyl)amino]-1-oxopropan-2-yl]piperidin-1-ium-3-carboxamide
CID 9304860
(2R)-N-cycloheptyl-2-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]propanamide
CID 9276816
(2R)-2-[(4aS,8aS)-1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinolin-2-ium-2-yl]-N-carbamoylpropanamide
CID 11931795

Frequently Asked Questions

What is the IUPAC name of (3S)-1-[(2R)-1-(cyclohexylamino)-1-oxopropan-2-yl]piperidin-1-ium-3-carboxamide?
The IUPAC name of (3S)-1-[(2R)-1-(cyclohexylamino)-1-oxopropan-2-yl]piperidin-1-ium-3-carboxamide (CID 8543235) is (3S)-1-[(2R)-1-(cyclohexylamino)-1-oxopropan-2-yl]piperidin-1-ium-3-carboxamide.
What is the SMILES notation for (3S)-1-[(2R)-1-(cyclohexylamino)-1-oxopropan-2-yl]piperidin-1-ium-3-carboxamide?
The canonical SMILES for (3S)-1-[(2R)-1-(cyclohexylamino)-1-oxopropan-2-yl]piperidin-1-ium-3-carboxamide is C[C@H](C(=O)NC1CCCCC1)[NH+]1CCC[C@H](C(N)=O)C1.
What is the InChIKey of (3S)-1-[(2R)-1-(cyclohexylamino)-1-oxopropan-2-yl]piperidin-1-ium-3-carboxamide?
The InChIKey is HUWHTURYGAOKDA-NEPJUHHUSA-O. 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)/p+1/t11-,12+/m1/s1.
What are the key properties of (3S)-1-[(2R)-1-(cyclohexylamino)-1-oxopropan-2-yl]piperidin-1-ium-3-carboxamide?
(3S)-1-[(2R)-1-(cyclohexylamino)-1-oxopropan-2-yl]piperidin-1-ium-3-carboxamide has a molecular weight of 282.41 g/mol, XLogP of -0.40, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[(2R)-1-(cyclohexylamino)-1-oxopropan-2-yl]piperidin-1-ium-3-carboxamide is sourced from PubChem (CID 8543235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).