(2R)-1-[2-(N-cyclohexylanilino)-2-oxoethyl]piperidin-1-ium-2-carboxamide

C20H30N3O2+ — CID 9304512

IUPAC(2R)-1-[2-(N-cyclohexylanilino)-2-oxoethyl]piperidin-1-ium-2-carboxamide
SMILESNC(=O)[C@H]1CCCC[NH+]1CC(=O)N(c1ccccc1)C1CCCCC1
InChIInChI=1S/C20H29N3O2/c21-20(25)18-13-7-8-14-22(18)15-19(24)23(16-9-3-1-4-10-16)17-11-5-2-6-12-17/h1,3-4,9-10,17-18H,2,5-8,11-15H2,(H2,21,25)/p+1/t18-/m1/s1
InChIKeyBAIMNCLQWQPTEQ-GOSISDBHSA-O
MW344.48 g/mol
LogP1.27
Rot. Bonds5

About (2R)-1-[2-(N-cyclohexylanilino)-2-oxoethyl]piperidin-1-ium-2-carboxamide

(2R)-1-[2-(N-cyclohexylanilino)-2-oxoethyl]piperidin-1-ium-2-carboxamide (PubChem CID 9304512) has the molecular formula C20H30N3O2+ and a molecular weight of 344.48 g/mol. Its IUPAC name is (2R)-1-[2-(N-cyclohexylanilino)-2-oxoethyl]piperidin-1-ium-2-carboxamide.

Molecular Properties

Compound Name(2R)-1-[2-(N-cyclohexylanilino)-2-oxoethyl]piperidin-1-ium-2-carboxamide
PubChem CID9304512
Molecular FormulaC20H30N3O2+
Molecular Weight344.48 g/mol
Exact Mass344.23
IUPAC Name(2R)-1-[2-(N-cyclohexylanilino)-2-oxoethyl]piperidin-1-ium-2-carboxamide
SMILESNC(=O)[C@H]1CCCC[NH+]1CC(=O)N(c1ccccc1)C1CCCCC1
InChIInChI=1S/C20H29N3O2/c21-20(25)18-13-7-8-14-22(18)15-19(24)23(16-9-3-1-4-10-16)17-11-5-2-6-12-17/h1,3-4,9-10,17-18H,2,5-8,11-15H2,(H2,21,25)/p+1/t18-/m1/s1
InChIKeyBAIMNCLQWQPTEQ-GOSISDBHSA-O
XLogP1.27
TPSA67.84 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.48
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(N-cyclohexylanilino)-2-oxoethyl]pyrrolidine-2-carboxamide
CID 57166210
N-cyclohexyl-2-[2-[2-(N-cyclohexylanilino)-2-oxoethoxy]phenoxy]-N-phenylacetamide
CID 102017753
(2R)-1-[2-[benzyl-[(3R)-1,1-dioxothiolan-3-yl]amino]-2-oxoethyl]pyrrolidin-1-ium-2-carboxamide
CID 11944308
N-cyclohexyl-N-phenylcarbamoyl chloride
CID 18329458
N-cyclohexyl-N-phenyl-2-piperidin-4-ylacetamide
CID 174812391
[2-(N-cyclohexylanilino)-2-oxoethyl] 3,4-dichlorobenzoate
CID 7873389
2-[(4-amino-1,2,4-triazol-3-yl)sulfanyl]-N-cyclohexyl-N-phenylacetamide
CID 7977553
[2-(N-cyclohexylanilino)-2-oxoethyl]-[2-(methylamino)-2-oxoethyl]azanium
CID 8772439
[2-(N-cyclohexylanilino)-2-oxoethyl] (1R,5S)-9-oxobicyclo[3.3.1]nonane-3-carboxylate
CID 7187028
2-(4-benzoylphenoxy)-N-cyclohexyl-N-phenylacetamide
CID 7717735
N-cyclohexyl-2-[(1R,2R,6S,7R)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]-N-phenylacetamide
CID 98363739
[2-(N-cyclohexylanilino)-2-oxoethyl] 2-(1-adamantyl)acetate
CID 7695229

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[2-(N-cyclohexylanilino)-2-oxoethyl]piperidin-1-ium-2-carboxamide?
The IUPAC name of (2R)-1-[2-(N-cyclohexylanilino)-2-oxoethyl]piperidin-1-ium-2-carboxamide (CID 9304512) is (2R)-1-[2-(N-cyclohexylanilino)-2-oxoethyl]piperidin-1-ium-2-carboxamide.
What is the SMILES notation for (2R)-1-[2-(N-cyclohexylanilino)-2-oxoethyl]piperidin-1-ium-2-carboxamide?
The canonical SMILES for (2R)-1-[2-(N-cyclohexylanilino)-2-oxoethyl]piperidin-1-ium-2-carboxamide is NC(=O)[C@H]1CCCC[NH+]1CC(=O)N(c1ccccc1)C1CCCCC1.
What is the InChIKey of (2R)-1-[2-(N-cyclohexylanilino)-2-oxoethyl]piperidin-1-ium-2-carboxamide?
The InChIKey is BAIMNCLQWQPTEQ-GOSISDBHSA-O. The full InChI is InChI=1S/C20H29N3O2/c21-20(25)18-13-7-8-14-22(18)15-19(24)23(16-9-3-1-4-10-16)17-11-5-2-6-12-17/h1,3-4,9-10,17-18H,2,5-8,11-15H2,(H2,21,25)/p+1/t18-/m1/s1.
What are the key properties of (2R)-1-[2-(N-cyclohexylanilino)-2-oxoethyl]piperidin-1-ium-2-carboxamide?
(2R)-1-[2-(N-cyclohexylanilino)-2-oxoethyl]piperidin-1-ium-2-carboxamide has a molecular weight of 344.48 g/mol, XLogP of 1.27, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[2-(N-cyclohexylanilino)-2-oxoethyl]piperidin-1-ium-2-carboxamide is sourced from PubChem (CID 9304512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).