N-(3-chloro-4-cyanophenyl)-2-[2-(3-hydroxypiperidine-1-carbonyl)anilino]acetamide

C21H21ClN4O3 — CID 60536925

IUPACN-(3-chloro-4-cyanophenyl)-2-[2-(3-hydroxypiperidine-1-carbonyl)anilino]acetamide
SMILESN#Cc1ccc(NC(=O)CNc2ccccc2C(=O)N2CCCC(O)C2)cc1Cl
InChIInChI=1S/C21H21ClN4O3/c22-18-10-15(8-7-14(18)11-23)25-20(28)12-24-19-6-2-1-5-17(19)21(29)26-9-3-4-16(27)13-26/h1-2,5-8,10,16,24,27H,3-4,9,12-13H2,(H,25,28)
InChIKeyFXPGHDOZOMUFKF-UHFFFAOYSA-N
MW412.88 g/mol
LogP2.86
Rot. Bonds5

About N-(3-chloro-4-cyanophenyl)-2-[2-(3-hydroxypiperidine-1-carbonyl)anilino]acetamide

N-(3-chloro-4-cyanophenyl)-2-[2-(3-hydroxypiperidine-1-carbonyl)anilino]acetamide (PubChem CID 60536925) has the molecular formula C21H21ClN4O3 and a molecular weight of 412.88 g/mol. Its IUPAC name is N-(3-chloro-4-cyanophenyl)-2-[2-(3-hydroxypiperidine-1-carbonyl)anilino]acetamide.

Molecular Properties

Compound NameN-(3-chloro-4-cyanophenyl)-2-[2-(3-hydroxypiperidine-1-carbonyl)anilino]acetamide
PubChem CID60536925
Molecular FormulaC21H21ClN4O3
Molecular Weight412.88 g/mol
Exact Mass412.13
IUPAC NameN-(3-chloro-4-cyanophenyl)-2-[2-(3-hydroxypiperidine-1-carbonyl)anilino]acetamide
SMILESN#Cc1ccc(NC(=O)CNc2ccccc2C(=O)N2CCCC(O)C2)cc1Cl
InChIInChI=1S/C21H21ClN4O3/c22-18-10-15(8-7-14(18)11-23)25-20(28)12-24-19-6-2-1-5-17(19)21(29)26-9-3-4-16(27)13-26/h1-2,5-8,10,16,24,27H,3-4,9,12-13H2,(H,25,28)
InChIKeyFXPGHDOZOMUFKF-UHFFFAOYSA-N
XLogP2.86
TPSA105.46 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.88
LogP ≤ 52.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-(5-chloro-2-cyanophenyl)-2-[2-(3-hydroxypiperidine-1-carbonyl)anilino]acetamide
CID 60536776
N-(2-chlorophenyl)-2-[2-(3-hydroxypiperidine-1-carbonyl)anilino]acetamide
CID 60536747
N-(5-chloro-2-fluorophenyl)-2-[2-(3-hydroxypiperidine-1-carbonyl)anilino]acetamide
CID 60536696
2-[2-[(3R)-3-hydroxypiperidine-1-carbonyl]anilino]-N-(2-methoxy-5-methylphenyl)acetamide
CID 51957235
N-(3-chloro-4-cyanophenyl)-2-(2-pyrazol-1-ylanilino)acetamide
CID 55728999
N-(3-chloro-4-cyanophenyl)-2-(cyclopropylmethylamino)acetamide
CID 54924873
N-(3-chloro-4-cyanophenyl)-2-(2-phenylsulfanylanilino)acetamide
CID 18278497
N-[4-chloro-3-(3-hydroxypiperidine-1-carbonyl)phenyl]-3-methylbutanamide
CID 111459517
2-chloro-N-[2-(3-hydroxypiperidine-1-carbonyl)phenyl]-4-nitrobenzamide
CID 78837706
N-(3-chloro-4-cyanophenyl)-2-(cyclooctylamino)acetamide
CID 9265066
N-(3-chloro-4-cyanophenyl)-3-methylpiperidine-1-carboxamide
CID 47197271
[2-[(2,5-dimethylphenyl)methylamino]phenyl]-(3-hydroxypiperidin-1-yl)methanone
CID 60536898

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-cyanophenyl)-2-[2-(3-hydroxypiperidine-1-carbonyl)anilino]acetamide?
The IUPAC name of N-(3-chloro-4-cyanophenyl)-2-[2-(3-hydroxypiperidine-1-carbonyl)anilino]acetamide (CID 60536925) is N-(3-chloro-4-cyanophenyl)-2-[2-(3-hydroxypiperidine-1-carbonyl)anilino]acetamide.
What is the SMILES notation for N-(3-chloro-4-cyanophenyl)-2-[2-(3-hydroxypiperidine-1-carbonyl)anilino]acetamide?
The canonical SMILES for N-(3-chloro-4-cyanophenyl)-2-[2-(3-hydroxypiperidine-1-carbonyl)anilino]acetamide is N#Cc1ccc(NC(=O)CNc2ccccc2C(=O)N2CCCC(O)C2)cc1Cl.
What is the InChIKey of N-(3-chloro-4-cyanophenyl)-2-[2-(3-hydroxypiperidine-1-carbonyl)anilino]acetamide?
The InChIKey is FXPGHDOZOMUFKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21ClN4O3/c22-18-10-15(8-7-14(18)11-23)25-20(28)12-24-19-6-2-1-5-17(19)21(29)26-9-3-4-16(27)13-26/h1-2,5-8,10,16,24,27H,3-4,9,12-13H2,(H,25,28).
What are the key properties of N-(3-chloro-4-cyanophenyl)-2-[2-(3-hydroxypiperidine-1-carbonyl)anilino]acetamide?
N-(3-chloro-4-cyanophenyl)-2-[2-(3-hydroxypiperidine-1-carbonyl)anilino]acetamide has a molecular weight of 412.88 g/mol, XLogP of 2.86, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-cyanophenyl)-2-[2-(3-hydroxypiperidine-1-carbonyl)anilino]acetamide is sourced from PubChem (CID 60536925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).