N-(3-chloro-4-cyanophenyl)-2-[2-(2-hydroxyethyl)piperidin-1-yl]acetamide

C16H20ClN3O2 — CID 110881591

IUPACN-(3-chloro-4-cyanophenyl)-2-[2-(2-hydroxyethyl)piperidin-1-yl]acetamide
SMILESN#Cc1ccc(NC(=O)CN2CCCCC2CCO)cc1Cl
InChIInChI=1S/C16H20ClN3O2/c17-15-9-13(5-4-12(15)10-18)19-16(22)11-20-7-2-1-3-14(20)6-8-21/h4-5,9,14,21H,1-3,6-8,11H2,(H,19,22)
InChIKeyFZODBQKDKXWZJO-UHFFFAOYSA-N
MW321.81 g/mol
LogP2.39
Rot. Bonds5

About N-(3-chloro-4-cyanophenyl)-2-[2-(2-hydroxyethyl)piperidin-1-yl]acetamide

N-(3-chloro-4-cyanophenyl)-2-[2-(2-hydroxyethyl)piperidin-1-yl]acetamide (PubChem CID 110881591) has the molecular formula C16H20ClN3O2 and a molecular weight of 321.81 g/mol. Its IUPAC name is N-(3-chloro-4-cyanophenyl)-2-[2-(2-hydroxyethyl)piperidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(3-chloro-4-cyanophenyl)-2-[2-(2-hydroxyethyl)piperidin-1-yl]acetamide
PubChem CID110881591
Molecular FormulaC16H20ClN3O2
Molecular Weight321.81 g/mol
Exact Mass321.12
IUPAC NameN-(3-chloro-4-cyanophenyl)-2-[2-(2-hydroxyethyl)piperidin-1-yl]acetamide
SMILESN#Cc1ccc(NC(=O)CN2CCCCC2CCO)cc1Cl
InChIInChI=1S/C16H20ClN3O2/c17-15-9-13(5-4-12(15)10-18)19-16(22)11-20-7-2-1-3-14(20)6-8-21/h4-5,9,14,21H,1-3,6-8,11H2,(H,19,22)
InChIKeyFZODBQKDKXWZJO-UHFFFAOYSA-N
XLogP2.39
TPSA76.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.81
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-chloro-4-cyanophenyl)-2-[2-(methylaminomethyl)pyrrolidin-1-yl]acetamide
CID 115316750
N-(3-chloro-4-cyanophenyl)-2-[(2R)-2-[(2-methoxyphenyl)methyl]pyrrolidin-1-yl]acetamide
CID 52908815
2-[2-(2-hydroxyethyl)piperidin-1-yl]-N-(4-pyrrolidin-1-ylphenyl)acetamide
CID 110881550
N-(3-chloro-4-cyanophenyl)-2-[4-(hydroxymethyl)piperidin-1-yl]acetamide
CID 60966755
N-(3-chloro-4-cyanophenyl)-2-[3-(hydroxymethyl)pyrrolidin-1-yl]acetamide
CID 62372959
N-(3-chloro-4-cyanophenyl)-2-[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]acetamide
CID 9445827
N-(3,4-dichlorophenyl)-2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]acetamide
CID 78942370
1-[2-(3-chloro-4-cyanoanilino)-2-oxoethyl]piperidine-4-carboxamide
CID 2514707
(3R,6R)-1-[2-(3-chloro-4-cyanoanilino)-2-oxoethyl]-6-methylpiperidine-3-carboxamide
CID 95151655
2-[2-(2-hydroxyethyl)piperidin-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 110881552
N-(3-chloro-4-methylphenyl)-2-[2-(methylaminomethyl)piperidin-1-yl]acetamide
CID 63250254
N-(3-cyanophenyl)-2-[2-(hydroxymethyl)piperidin-1-yl]acetamide
CID 60684715

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-cyanophenyl)-2-[2-(2-hydroxyethyl)piperidin-1-yl]acetamide?
The IUPAC name of N-(3-chloro-4-cyanophenyl)-2-[2-(2-hydroxyethyl)piperidin-1-yl]acetamide (CID 110881591) is N-(3-chloro-4-cyanophenyl)-2-[2-(2-hydroxyethyl)piperidin-1-yl]acetamide.
What is the SMILES notation for N-(3-chloro-4-cyanophenyl)-2-[2-(2-hydroxyethyl)piperidin-1-yl]acetamide?
The canonical SMILES for N-(3-chloro-4-cyanophenyl)-2-[2-(2-hydroxyethyl)piperidin-1-yl]acetamide is N#Cc1ccc(NC(=O)CN2CCCCC2CCO)cc1Cl.
What is the InChIKey of N-(3-chloro-4-cyanophenyl)-2-[2-(2-hydroxyethyl)piperidin-1-yl]acetamide?
The InChIKey is FZODBQKDKXWZJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClN3O2/c17-15-9-13(5-4-12(15)10-18)19-16(22)11-20-7-2-1-3-14(20)6-8-21/h4-5,9,14,21H,1-3,6-8,11H2,(H,19,22).
What are the key properties of N-(3-chloro-4-cyanophenyl)-2-[2-(2-hydroxyethyl)piperidin-1-yl]acetamide?
N-(3-chloro-4-cyanophenyl)-2-[2-(2-hydroxyethyl)piperidin-1-yl]acetamide has a molecular weight of 321.81 g/mol, XLogP of 2.39, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-cyanophenyl)-2-[2-(2-hydroxyethyl)piperidin-1-yl]acetamide is sourced from PubChem (CID 110881591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).