(3R)-1-[2-[(2-methylphenyl)methylamino]-2-oxoethyl]piperidin-1-ium-3-carboxamide

C16H24N3O2+ — CID 8545953

IUPAC(3R)-1-[2-[(2-methylphenyl)methylamino]-2-oxoethyl]piperidin-1-ium-3-carboxamide
SMILESCc1ccccc1CNC(=O)C[NH+]1CCC[C@@H](C(N)=O)C1
InChIInChI=1S/C16H23N3O2/c1-12-5-2-3-6-13(12)9-18-15(20)11-19-8-4-7-14(10-19)16(17)21/h2-3,5-6,14H,4,7-11H2,1H3,(H2,17,21)(H,18,20)/p+1/t14-/m1/s1
InChIKeyPWFFQHWCCVIQNI-CQSZACIVSA-O
MW290.39 g/mol
LogP-0.61
Rot. Bonds5

About (3R)-1-[2-[(2-methylphenyl)methylamino]-2-oxoethyl]piperidin-1-ium-3-carboxamide

(3R)-1-[2-[(2-methylphenyl)methylamino]-2-oxoethyl]piperidin-1-ium-3-carboxamide (PubChem CID 8545953) has the molecular formula C16H24N3O2+ and a molecular weight of 290.39 g/mol. Its IUPAC name is (3R)-1-[2-[(2-methylphenyl)methylamino]-2-oxoethyl]piperidin-1-ium-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-[2-[(2-methylphenyl)methylamino]-2-oxoethyl]piperidin-1-ium-3-carboxamide
PubChem CID8545953
Molecular FormulaC16H24N3O2+
Molecular Weight290.39 g/mol
Exact Mass290.19
IUPAC Name(3R)-1-[2-[(2-methylphenyl)methylamino]-2-oxoethyl]piperidin-1-ium-3-carboxamide
SMILESCc1ccccc1CNC(=O)C[NH+]1CCC[C@@H](C(N)=O)C1
InChIInChI=1S/C16H23N3O2/c1-12-5-2-3-6-13(12)9-18-15(20)11-19-8-4-7-14(10-19)16(17)21/h2-3,5-6,14H,4,7-11H2,1H3,(H2,17,21)(H,18,20)/p+1/t14-/m1/s1
InChIKeyPWFFQHWCCVIQNI-CQSZACIVSA-O
XLogP-0.61
TPSA76.63 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.39
LogP ≤ 5-0.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-1-[2-(2,3-dimethylanilino)-2-oxoethyl]piperidin-1-ium-3-carboxamide
CID 9305291
(3S)-1-[2-[(3-chlorophenyl)methylamino]-2-oxoethyl]piperidin-1-ium-3-carboxamide
CID 9306029
(3R)-1-[2-[2-(1H-indol-3-yl)ethylamino]-2-oxoethyl]piperidin-1-ium-3-carboxamide
CID 8546860
(3S)-1-[2-(2,6-dichloro-3-methylanilino)-2-oxoethyl]piperidin-1-ium-3-carboxamide
CID 9305597
(3R)-1-[2-(2,6-difluoroanilino)-2-oxoethyl]piperidin-1-ium-3-carboxamide
CID 9305502
(2S)-1-[2-[(2-methylphenyl)methylamino]-2-oxoethyl]piperidine-2-carboxamide
CID 40987983
(3S)-1-[2-[2,6-di(propan-2-yl)anilino]-2-oxoethyl]piperidin-1-ium-3-carboxamide
CID 9306099
N-[(2-methoxyphenyl)methyl]-2-[(3R)-3-methylpiperidin-1-ium-1-yl]acetamide
CID 8903455
(3R)-1-[(2-chlorophenyl)methyl]piperidin-1-ium-3-carboxamide
CID 6962116
(3R)-1-[2-[2-(cyclopentylcarbamoyl)anilino]-2-oxoethyl]piperidin-1-ium-3-carboxamide
CID 9305182
(3S)-1-[2-(4-ethylanilino)-2-oxoethyl]piperidin-1-ium-3-carboxamide
CID 9305636
(3S)-1-[2-oxo-2-(4-propan-2-ylanilino)ethyl]piperidin-1-ium-3-carboxamide
CID 9305311

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[2-[(2-methylphenyl)methylamino]-2-oxoethyl]piperidin-1-ium-3-carboxamide?
The IUPAC name of (3R)-1-[2-[(2-methylphenyl)methylamino]-2-oxoethyl]piperidin-1-ium-3-carboxamide (CID 8545953) is (3R)-1-[2-[(2-methylphenyl)methylamino]-2-oxoethyl]piperidin-1-ium-3-carboxamide.
What is the SMILES notation for (3R)-1-[2-[(2-methylphenyl)methylamino]-2-oxoethyl]piperidin-1-ium-3-carboxamide?
The canonical SMILES for (3R)-1-[2-[(2-methylphenyl)methylamino]-2-oxoethyl]piperidin-1-ium-3-carboxamide is Cc1ccccc1CNC(=O)C[NH+]1CCC[C@@H](C(N)=O)C1.
What is the InChIKey of (3R)-1-[2-[(2-methylphenyl)methylamino]-2-oxoethyl]piperidin-1-ium-3-carboxamide?
The InChIKey is PWFFQHWCCVIQNI-CQSZACIVSA-O. The full InChI is InChI=1S/C16H23N3O2/c1-12-5-2-3-6-13(12)9-18-15(20)11-19-8-4-7-14(10-19)16(17)21/h2-3,5-6,14H,4,7-11H2,1H3,(H2,17,21)(H,18,20)/p+1/t14-/m1/s1.
What are the key properties of (3R)-1-[2-[(2-methylphenyl)methylamino]-2-oxoethyl]piperidin-1-ium-3-carboxamide?
(3R)-1-[2-[(2-methylphenyl)methylamino]-2-oxoethyl]piperidin-1-ium-3-carboxamide has a molecular weight of 290.39 g/mol, XLogP of -0.61, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[2-[(2-methylphenyl)methylamino]-2-oxoethyl]piperidin-1-ium-3-carboxamide is sourced from PubChem (CID 8545953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).