N-(5-chloro-2-cyanophenyl)-2-[2-(3-hydroxypiperidine-1-carbonyl)anilino]acetamide

C21H21ClN4O3 — CID 60536776

IUPACN-(5-chloro-2-cyanophenyl)-2-[2-(3-hydroxypiperidine-1-carbonyl)anilino]acetamide
SMILESN#Cc1ccc(Cl)cc1NC(=O)CNc1ccccc1C(=O)N1CCCC(O)C1
InChIInChI=1S/C21H21ClN4O3/c22-15-8-7-14(11-23)19(10-15)25-20(28)12-24-18-6-2-1-5-17(18)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)
InChIKeyFJLFYOCXBOYYRL-UHFFFAOYSA-N
MW412.88 g/mol
LogP2.86
Rot. Bonds5

About N-(5-chloro-2-cyanophenyl)-2-[2-(3-hydroxypiperidine-1-carbonyl)anilino]acetamide

N-(5-chloro-2-cyanophenyl)-2-[2-(3-hydroxypiperidine-1-carbonyl)anilino]acetamide (PubChem CID 60536776) has the molecular formula C21H21ClN4O3 and a molecular weight of 412.88 g/mol. Its IUPAC name is N-(5-chloro-2-cyanophenyl)-2-[2-(3-hydroxypiperidine-1-carbonyl)anilino]acetamide.

Molecular Properties

Compound NameN-(5-chloro-2-cyanophenyl)-2-[2-(3-hydroxypiperidine-1-carbonyl)anilino]acetamide
PubChem CID60536776
Molecular FormulaC21H21ClN4O3
Molecular Weight412.88 g/mol
Exact Mass412.13
IUPAC NameN-(5-chloro-2-cyanophenyl)-2-[2-(3-hydroxypiperidine-1-carbonyl)anilino]acetamide
SMILESN#Cc1ccc(Cl)cc1NC(=O)CNc1ccccc1C(=O)N1CCCC(O)C1
InChIInChI=1S/C21H21ClN4O3/c22-15-8-7-14(11-23)19(10-15)25-20(28)12-24-18-6-2-1-5-17(18)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)
InChIKeyFJLFYOCXBOYYRL-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-fluorophenyl)-2-[2-(3-hydroxypiperidine-1-carbonyl)anilino]acetamide
CID 60536696
N-(3-chloro-4-cyanophenyl)-2-[2-(3-hydroxypiperidine-1-carbonyl)anilino]acetamide
CID 60536925
N-(2-chlorophenyl)-2-[2-(3-hydroxypiperidine-1-carbonyl)anilino]acetamide
CID 60536747
N-(5-chloro-2-cyanophenyl)-2-(3-hydroxypiperidin-1-yl)acetamide
CID 110877770
2-[2-[(3R)-3-hydroxypiperidine-1-carbonyl]anilino]-N-(2-methoxy-5-methylphenyl)acetamide
CID 51957235
2-[[2-(5-chloro-2-cyanoanilino)-2-oxoethyl]amino]-N-phenylbenzamide
CID 9105872
N-(5-chloro-2-cyanophenyl)-2-(5-chloro-2-methylanilino)acetamide
CID 9102944
2-[5-chloro-2-(pyrrolidine-1-carbonyl)anilino]-N-(2,3-dichlorophenyl)acetamide
CID 55896895
[2-[(2-fluorophenyl)methylamino]phenyl]-(3-hydroxypiperidin-1-yl)methanone
CID 110900298
N-(5-chloro-2-cyanophenyl)-2-(cyclopropylamino)acetamide
CID 54917775
N-(5-chloro-2-cyanophenyl)-2-(2-propan-2-yloxyanilino)acetamide
CID 87029057
(2,5-dichlorophenyl)-[(3S)-3-hydroxypiperidin-1-yl]methanone
CID 93032488

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-cyanophenyl)-2-[2-(3-hydroxypiperidine-1-carbonyl)anilino]acetamide?
The IUPAC name of N-(5-chloro-2-cyanophenyl)-2-[2-(3-hydroxypiperidine-1-carbonyl)anilino]acetamide (CID 60536776) is N-(5-chloro-2-cyanophenyl)-2-[2-(3-hydroxypiperidine-1-carbonyl)anilino]acetamide.
What is the SMILES notation for N-(5-chloro-2-cyanophenyl)-2-[2-(3-hydroxypiperidine-1-carbonyl)anilino]acetamide?
The canonical SMILES for N-(5-chloro-2-cyanophenyl)-2-[2-(3-hydroxypiperidine-1-carbonyl)anilino]acetamide is N#Cc1ccc(Cl)cc1NC(=O)CNc1ccccc1C(=O)N1CCCC(O)C1.
What is the InChIKey of N-(5-chloro-2-cyanophenyl)-2-[2-(3-hydroxypiperidine-1-carbonyl)anilino]acetamide?
The InChIKey is FJLFYOCXBOYYRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21ClN4O3/c22-15-8-7-14(11-23)19(10-15)25-20(28)12-24-18-6-2-1-5-17(18)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-(5-chloro-2-cyanophenyl)-2-[2-(3-hydroxypiperidine-1-carbonyl)anilino]acetamide?
N-(5-chloro-2-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-(5-chloro-2-cyanophenyl)-2-[2-(3-hydroxypiperidine-1-carbonyl)anilino]acetamide is sourced from PubChem (CID 60536776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).