2-(4-methyl-N-(2-methylpiperidine-4-carbonyl)anilino)acetic acid

C16H22N2O3 — CID 106739630

IUPAC2-(4-methyl-N-(2-methylpiperidine-4-carbonyl)anilino)acetic acid
SMILESCc1ccc(N(CC(=O)O)C(=O)C2CCNC(C)C2)cc1
InChIInChI=1S/C16H22N2O3/c1-11-3-5-14(6-4-11)18(10-15(19)20)16(21)13-7-8-17-12(2)9-13/h3-6,12-13,17H,7-10H2,1-2H3,(H,19,20)
InChIKeyNBNQPYZUGNMCMV-UHFFFAOYSA-N
MW290.36 g/mol
LogP1.80
Rot. Bonds4

About 2-(4-methyl-N-(2-methylpiperidine-4-carbonyl)anilino)acetic acid

2-(4-methyl-N-(2-methylpiperidine-4-carbonyl)anilino)acetic acid (PubChem CID 106739630) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is 2-(4-methyl-N-(2-methylpiperidine-4-carbonyl)anilino)acetic acid.

Molecular Properties

Compound Name2-(4-methyl-N-(2-methylpiperidine-4-carbonyl)anilino)acetic acid
PubChem CID106739630
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Name2-(4-methyl-N-(2-methylpiperidine-4-carbonyl)anilino)acetic acid
SMILESCc1ccc(N(CC(=O)O)C(=O)C2CCNC(C)C2)cc1
InChIInChI=1S/C16H22N2O3/c1-11-3-5-14(6-4-11)18(10-15(19)20)16(21)13-7-8-17-12(2)9-13/h3-6,12-13,17H,7-10H2,1-2H3,(H,19,20)
InChIKeyNBNQPYZUGNMCMV-UHFFFAOYSA-N
XLogP1.80
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N,2-dimethyl-N-(4-methylphenyl)piperidine-4-carboxamide
CID 106739900
N-ethyl-2-methyl-N-phenylpiperidine-4-carboxamide
CID 106738635
(2S,4S)-N-ethyl-2-methyl-N-phenylpiperidine-4-carboxamide;hydrochloride
CID 120616057
2-(4-methyl-N-[(2S)-piperidine-2-carbonyl]anilino)acetic acid
CID 104913597
2-[N-(cyclohex-3-ene-1-carbonyl)-4-methylanilino]acetic acid
CID 60832118
2-(N-(1,1-dioxothiolane-3-carbonyl)-4-methylanilino)acetic acid
CID 60830600
3-[ethyl-(4-methylphenyl)carbamoyl]cyclopentane-1-carboxylic acid
CID 103550633
2-[4-chloro-N-(piperidine-4-carbonyl)anilino]acetic acid
CID 61161669
2-(4-methyl-N-(5-methyloxolane-2-carbonyl)anilino)acetic acid
CID 81324454
2-[N-(cyclopropanecarbonyl)-4-fluoroanilino]acetic acid
CID 28765585
N-ethyl-N-(4-methylphenyl)piperidine-4-carboxamide;hydrochloride
CID 119280403
2-[N-(pyrrolidine-3-carbonyl)anilino]acetic acid
CID 63007265

Frequently Asked Questions

What is the IUPAC name of 2-(4-methyl-N-(2-methylpiperidine-4-carbonyl)anilino)acetic acid?
The IUPAC name of 2-(4-methyl-N-(2-methylpiperidine-4-carbonyl)anilino)acetic acid (CID 106739630) is 2-(4-methyl-N-(2-methylpiperidine-4-carbonyl)anilino)acetic acid.
What is the SMILES notation for 2-(4-methyl-N-(2-methylpiperidine-4-carbonyl)anilino)acetic acid?
The canonical SMILES for 2-(4-methyl-N-(2-methylpiperidine-4-carbonyl)anilino)acetic acid is Cc1ccc(N(CC(=O)O)C(=O)C2CCNC(C)C2)cc1.
What is the InChIKey of 2-(4-methyl-N-(2-methylpiperidine-4-carbonyl)anilino)acetic acid?
The InChIKey is NBNQPYZUGNMCMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-11-3-5-14(6-4-11)18(10-15(19)20)16(21)13-7-8-17-12(2)9-13/h3-6,12-13,17H,7-10H2,1-2H3,(H,19,20).
What are the key properties of 2-(4-methyl-N-(2-methylpiperidine-4-carbonyl)anilino)acetic acid?
2-(4-methyl-N-(2-methylpiperidine-4-carbonyl)anilino)acetic acid has a molecular weight of 290.36 g/mol, XLogP of 1.80, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methyl-N-(2-methylpiperidine-4-carbonyl)anilino)acetic acid is sourced from PubChem (CID 106739630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).