2-(4-chloro-N-(3-methylpiperidine-1-carbonyl)anilino)acetic acid

C15H19ClN2O3 — CID 61186885

IUPAC2-(4-chloro-N-(3-methylpiperidine-1-carbonyl)anilino)acetic acid
SMILESCC1CCCN(C(=O)N(CC(=O)O)c2ccc(Cl)cc2)C1
InChIInChI=1S/C15H19ClN2O3/c1-11-3-2-8-17(9-11)15(21)18(10-14(19)20)13-6-4-12(16)5-7-13/h4-7,11H,2-3,8-10H2,1H3,(H,19,20)
InChIKeyVHEUXQZTBRNFNH-UHFFFAOYSA-N
MW310.78 g/mol
LogP3.08
Rot. Bonds3

About 2-(4-chloro-N-(3-methylpiperidine-1-carbonyl)anilino)acetic acid

2-(4-chloro-N-(3-methylpiperidine-1-carbonyl)anilino)acetic acid (PubChem CID 61186885) has the molecular formula C15H19ClN2O3 and a molecular weight of 310.78 g/mol. Its IUPAC name is 2-(4-chloro-N-(3-methylpiperidine-1-carbonyl)anilino)acetic acid.

Molecular Properties

Compound Name2-(4-chloro-N-(3-methylpiperidine-1-carbonyl)anilino)acetic acid
PubChem CID61186885
Molecular FormulaC15H19ClN2O3
Molecular Weight310.78 g/mol
Exact Mass310.11
IUPAC Name2-(4-chloro-N-(3-methylpiperidine-1-carbonyl)anilino)acetic acid
SMILESCC1CCCN(C(=O)N(CC(=O)O)c2ccc(Cl)cc2)C1
InChIInChI=1S/C15H19ClN2O3/c1-11-3-2-8-17(9-11)15(21)18(10-14(19)20)13-6-4-12(16)5-7-13/h4-7,11H,2-3,8-10H2,1H3,(H,19,20)
InChIKeyVHEUXQZTBRNFNH-UHFFFAOYSA-N
XLogP3.08
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.78
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-amino-N-(3-methylpiperidine-1-carbonyl)anilino)acetic acid
CID 79158200
2-(N-(3-aminopiperidine-1-carbonyl)-4-hydroxyanilino)acetic acid
CID 61403610
2-(N-(3-methoxypiperidine-1-carbonyl)anilino)acetic acid
CID 102962941
2-[4-chloro-N-(cycloheptanecarbonyl)anilino]acetic acid
CID 62586659
N,3-dimethyl-N-phenylpiperidine-1-carboxamide
CID 108990934
2-(N-(3-hydroxypyrrolidine-1-carbonyl)anilino)acetic acid
CID 55132152
2-(N-[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl]anilino)acetic acid
CID 51674289
2-(N-(3-methoxypyrrolidine-1-carbonyl)-4-methylanilino)acetic acid
CID 103536092
2-(4-chloro-N-(2-cyclopentylacetyl)anilino)acetic acid
CID 60826489
2-[4-hydroxy-N-(1,4-oxazepane-4-carbonyl)anilino]acetic acid
CID 62969219
(3R)-N-(4-chlorobenzoyl)-3-methylpiperidine-1-carboxamide
CID 701228
N-(4-chlorophenyl)-3-(3-methylpiperidin-1-yl)-3-oxopropanamide
CID 108952332

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-N-(3-methylpiperidine-1-carbonyl)anilino)acetic acid?
The IUPAC name of 2-(4-chloro-N-(3-methylpiperidine-1-carbonyl)anilino)acetic acid (CID 61186885) is 2-(4-chloro-N-(3-methylpiperidine-1-carbonyl)anilino)acetic acid.
What is the SMILES notation for 2-(4-chloro-N-(3-methylpiperidine-1-carbonyl)anilino)acetic acid?
The canonical SMILES for 2-(4-chloro-N-(3-methylpiperidine-1-carbonyl)anilino)acetic acid is CC1CCCN(C(=O)N(CC(=O)O)c2ccc(Cl)cc2)C1.
What is the InChIKey of 2-(4-chloro-N-(3-methylpiperidine-1-carbonyl)anilino)acetic acid?
The InChIKey is VHEUXQZTBRNFNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN2O3/c1-11-3-2-8-17(9-11)15(21)18(10-14(19)20)13-6-4-12(16)5-7-13/h4-7,11H,2-3,8-10H2,1H3,(H,19,20).
What are the key properties of 2-(4-chloro-N-(3-methylpiperidine-1-carbonyl)anilino)acetic acid?
2-(4-chloro-N-(3-methylpiperidine-1-carbonyl)anilino)acetic acid has a molecular weight of 310.78 g/mol, XLogP of 3.08, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-N-(3-methylpiperidine-1-carbonyl)anilino)acetic acid is sourced from PubChem (CID 61186885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).