2-[4-chloro-N-(piperidine-4-carbonyl)anilino]acetic acid

C14H17ClN2O3 — CID 61161669

IUPAC2-[4-chloro-N-(piperidine-4-carbonyl)anilino]acetic acid
SMILESO=C(O)CN(C(=O)C1CCNCC1)c1ccc(Cl)cc1
InChIInChI=1S/C14H17ClN2O3/c15-11-1-3-12(4-2-11)17(9-13(18)19)14(20)10-5-7-16-8-6-10/h1-4,10,16H,5-9H2,(H,18,19)
InChIKeyCVDXVNJILQWZRW-UHFFFAOYSA-N
MW296.75 g/mol
LogP1.76
Rot. Bonds4

About 2-[4-chloro-N-(piperidine-4-carbonyl)anilino]acetic acid

2-[4-chloro-N-(piperidine-4-carbonyl)anilino]acetic acid (PubChem CID 61161669) has the molecular formula C14H17ClN2O3 and a molecular weight of 296.75 g/mol. Its IUPAC name is 2-[4-chloro-N-(piperidine-4-carbonyl)anilino]acetic acid.

Molecular Properties

Compound Name2-[4-chloro-N-(piperidine-4-carbonyl)anilino]acetic acid
PubChem CID61161669
Molecular FormulaC14H17ClN2O3
Molecular Weight296.75 g/mol
Exact Mass296.09
IUPAC Name2-[4-chloro-N-(piperidine-4-carbonyl)anilino]acetic acid
SMILESO=C(O)CN(C(=O)C1CCNCC1)c1ccc(Cl)cc1
InChIInChI=1S/C14H17ClN2O3/c15-11-1-3-12(4-2-11)17(9-13(18)19)14(20)10-5-7-16-8-6-10/h1-4,10,16H,5-9H2,(H,18,19)
InChIKeyCVDXVNJILQWZRW-UHFFFAOYSA-N
XLogP1.76
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.75
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-chloro-N-(cycloheptanecarbonyl)anilino]acetic acid
CID 62586659
2-[N-(pyrrolidine-3-carbonyl)anilino]acetic acid
CID 63007265
2-(4-chloro-N-[(2S)-pyrrolidine-2-carbonyl]anilino)acetic acid
CID 61161284
2-[N-(cyclopropanecarbonyl)-4-fluoroanilino]acetic acid
CID 28765585
2-(4-chloro-N-(5-oxopyrrolidine-3-carbonyl)anilino)acetic acid
CID 83191993
2-(N-[2-(azetidin-3-yl)acetyl]-4-chloroanilino)acetic acid
CID 64611610
2-(4-methyl-N-(2-methylpiperidine-4-carbonyl)anilino)acetic acid
CID 106739630
2-(4-chloro-N-(2-cyclopentylacetyl)anilino)acetic acid
CID 60826489
N-ethyl-N-(4-methylphenyl)piperidine-4-carboxamide;hydrochloride
CID 119280403
2-[4-chloro-N-(1,4-dioxane-2-carbonyl)anilino]acetic acid
CID 60827167
N-[2-(dimethylamino)ethyl]-N-phenylpiperidine-4-carboxamide
CID 119867193
N-(3,5-dichlorophenyl)-N-ethylpiperidine-4-carboxamide;hydrochloride
CID 140562388

Frequently Asked Questions

What is the IUPAC name of 2-[4-chloro-N-(piperidine-4-carbonyl)anilino]acetic acid?
The IUPAC name of 2-[4-chloro-N-(piperidine-4-carbonyl)anilino]acetic acid (CID 61161669) is 2-[4-chloro-N-(piperidine-4-carbonyl)anilino]acetic acid.
What is the SMILES notation for 2-[4-chloro-N-(piperidine-4-carbonyl)anilino]acetic acid?
The canonical SMILES for 2-[4-chloro-N-(piperidine-4-carbonyl)anilino]acetic acid is O=C(O)CN(C(=O)C1CCNCC1)c1ccc(Cl)cc1.
What is the InChIKey of 2-[4-chloro-N-(piperidine-4-carbonyl)anilino]acetic acid?
The InChIKey is CVDXVNJILQWZRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN2O3/c15-11-1-3-12(4-2-11)17(9-13(18)19)14(20)10-5-7-16-8-6-10/h1-4,10,16H,5-9H2,(H,18,19).
What are the key properties of 2-[4-chloro-N-(piperidine-4-carbonyl)anilino]acetic acid?
2-[4-chloro-N-(piperidine-4-carbonyl)anilino]acetic acid has a molecular weight of 296.75 g/mol, XLogP of 1.76, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-chloro-N-(piperidine-4-carbonyl)anilino]acetic acid is sourced from PubChem (CID 61161669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).