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

C15H18ClN3O2 — CID 60966755

IUPACN-(3-chloro-4-cyanophenyl)-2-[4-(hydroxymethyl)piperidin-1-yl]acetamide
SMILESN#Cc1ccc(NC(=O)CN2CCC(CO)CC2)cc1Cl
InChIInChI=1S/C15H18ClN3O2/c16-14-7-13(2-1-12(14)8-17)18-15(21)9-19-5-3-11(10-20)4-6-19/h1-2,7,11,20H,3-6,9-10H2,(H,18,21)
InChIKeyDRGNRBOMJJEJLM-UHFFFAOYSA-N
MW307.78 g/mol
LogP1.85
Rot. Bonds4

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

N-(3-chloro-4-cyanophenyl)-2-[4-(hydroxymethyl)piperidin-1-yl]acetamide (PubChem CID 60966755) has the molecular formula C15H18ClN3O2 and a molecular weight of 307.78 g/mol. Its IUPAC name is N-(3-chloro-4-cyanophenyl)-2-[4-(hydroxymethyl)piperidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(3-chloro-4-cyanophenyl)-2-[4-(hydroxymethyl)piperidin-1-yl]acetamide
PubChem CID60966755
Molecular FormulaC15H18ClN3O2
Molecular Weight307.78 g/mol
Exact Mass307.11
IUPAC NameN-(3-chloro-4-cyanophenyl)-2-[4-(hydroxymethyl)piperidin-1-yl]acetamide
SMILESN#Cc1ccc(NC(=O)CN2CCC(CO)CC2)cc1Cl
InChIInChI=1S/C15H18ClN3O2/c16-14-7-13(2-1-12(14)8-17)18-15(21)9-19-5-3-11(10-20)4-6-19/h1-2,7,11,20H,3-6,9-10H2,(H,18,21)
InChIKeyDRGNRBOMJJEJLM-UHFFFAOYSA-N
XLogP1.85
TPSA76.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.78
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-chloro-4-cyanophenyl)-2-[3-(hydroxymethyl)pyrrolidin-1-yl]acetamide
CID 62372959
N-(3-chloro-4-cyanophenyl)-2-[3-(methylaminomethyl)pyrrolidin-1-yl]acetamide
CID 63264026
1-[2-(3-chloro-4-cyanoanilino)-2-oxoethyl]piperidine-4-carboxamide
CID 2514707
2-(4-acetylpiperazin-1-yl)-N-(3-chloro-4-cyanophenyl)acetamide
CID 2117238
N-(4-cyanophenyl)-2-[4-(hydroxymethyl)piperidin-1-yl]acetamide
CID 43246133
2-[4-(benzenesulfonyl)piperazin-1-yl]-N-(3-chloro-4-cyanophenyl)acetamide
CID 9104928
N-(3-chloro-4-cyanophenyl)-2-(3-pyrazin-2-ylpyrrolidin-1-yl)acetamide
CID 136562069
N-(3-chloro-4-cyanophenyl)-2-(cyclopropylmethylamino)acetamide
CID 54924873
N-(3-chloro-4-cyanophenyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide
CID 8541968
N-(3-chloro-4-methoxyphenyl)-2-[3-(hydroxymethyl)pyrrolidin-1-yl]acetamide
CID 62371221
N-[4-(cyanomethyl)phenyl]-2-[4-(hydroxymethyl)piperidin-1-yl]acetamide
CID 62020265
2-[2-(aminomethyl)morpholin-4-yl]-N-(3-chloro-4-cyanophenyl)acetamide
CID 114398812

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-cyanophenyl)-2-[4-(hydroxymethyl)piperidin-1-yl]acetamide?
The IUPAC name of N-(3-chloro-4-cyanophenyl)-2-[4-(hydroxymethyl)piperidin-1-yl]acetamide (CID 60966755) is N-(3-chloro-4-cyanophenyl)-2-[4-(hydroxymethyl)piperidin-1-yl]acetamide.
What is the SMILES notation for N-(3-chloro-4-cyanophenyl)-2-[4-(hydroxymethyl)piperidin-1-yl]acetamide?
The canonical SMILES for N-(3-chloro-4-cyanophenyl)-2-[4-(hydroxymethyl)piperidin-1-yl]acetamide is N#Cc1ccc(NC(=O)CN2CCC(CO)CC2)cc1Cl.
What is the InChIKey of N-(3-chloro-4-cyanophenyl)-2-[4-(hydroxymethyl)piperidin-1-yl]acetamide?
The InChIKey is DRGNRBOMJJEJLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN3O2/c16-14-7-13(2-1-12(14)8-17)18-15(21)9-19-5-3-11(10-20)4-6-19/h1-2,7,11,20H,3-6,9-10H2,(H,18,21).
What are the key properties of N-(3-chloro-4-cyanophenyl)-2-[4-(hydroxymethyl)piperidin-1-yl]acetamide?
N-(3-chloro-4-cyanophenyl)-2-[4-(hydroxymethyl)piperidin-1-yl]acetamide has a molecular weight of 307.78 g/mol, XLogP of 1.85, 4 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-[4-(hydroxymethyl)piperidin-1-yl]acetamide is sourced from PubChem (CID 60966755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).