N-[(4-cyanophenyl)methyl]-2-(1,4-diazepan-1-yl)acetamide

C15H20N4O — CID 62837229

IUPACN-[(4-cyanophenyl)methyl]-2-(1,4-diazepan-1-yl)acetamide
SMILESN#Cc1ccc(CNC(=O)CN2CCCNCC2)cc1
InChIInChI=1S/C15H20N4O/c16-10-13-2-4-14(5-3-13)11-18-15(20)12-19-8-1-6-17-7-9-19/h2-5,17H,1,6-9,11-12H2,(H,18,20)
InChIKeyUWEFUYQCJMTFGW-UHFFFAOYSA-N
MW272.35 g/mol
LogP0.47
Rot. Bonds4

About N-[(4-cyanophenyl)methyl]-2-(1,4-diazepan-1-yl)acetamide

N-[(4-cyanophenyl)methyl]-2-(1,4-diazepan-1-yl)acetamide (PubChem CID 62837229) has the molecular formula C15H20N4O and a molecular weight of 272.35 g/mol. Its IUPAC name is N-[(4-cyanophenyl)methyl]-2-(1,4-diazepan-1-yl)acetamide.

Molecular Properties

Compound NameN-[(4-cyanophenyl)methyl]-2-(1,4-diazepan-1-yl)acetamide
PubChem CID62837229
Molecular FormulaC15H20N4O
Molecular Weight272.35 g/mol
Exact Mass272.16
IUPAC NameN-[(4-cyanophenyl)methyl]-2-(1,4-diazepan-1-yl)acetamide
SMILESN#Cc1ccc(CNC(=O)CN2CCCNCC2)cc1
InChIInChI=1S/C15H20N4O/c16-10-13-2-4-14(5-3-13)11-18-15(20)12-19-8-1-6-17-7-9-19/h2-5,17H,1,6-9,11-12H2,(H,18,20)
InChIKeyUWEFUYQCJMTFGW-UHFFFAOYSA-N
XLogP0.47
TPSA68.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 50.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1,4-diazepan-1-yl)-N-[(4-hydroxyphenyl)methyl]acetamide
CID 114332159
2-(1,4-diazepan-1-yl)-N-[(3-fluorophenyl)methyl]acetamide
CID 62838248
2-piperazin-1-yl-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide
CID 62880126
N-(2-chloro-4-cyanophenyl)-2-(1,4-diazepan-1-yl)acetamide
CID 107808016
3-[[[2-(1,4-diazepan-1-yl)acetyl]amino]methyl]benzamide
CID 62839603
2-(1,4-diazepan-1-yl)-N-[2-(4-hydroxyphenyl)ethyl]acetamide
CID 62839241
N-benzyl-2-[7-[2-[(4-cyanophenyl)methylamino]-2-oxoethyl]-9-oxa-3,7-diazabicyclo[3.3.1]nonan-3-yl]acetamide
CID 69401621
2-(1,4-diazepan-1-yl)-N-(furan-2-ylmethyl)acetamide
CID 43162513
2-(1,4-diazepan-1-yl)-N-(1,2-oxazol-3-ylmethyl)acetamide
CID 81171334
2-(azepan-1-yl)-N-[(4-methylphenyl)methyl]acetamide
CID 108997193
2-amino-N-[(4-cyanophenyl)methyl]acetamide
CID 60919000
N-[(4-cyanophenyl)methyl]-2-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)acetamide
CID 134035362

Frequently Asked Questions

What is the IUPAC name of N-[(4-cyanophenyl)methyl]-2-(1,4-diazepan-1-yl)acetamide?
The IUPAC name of N-[(4-cyanophenyl)methyl]-2-(1,4-diazepan-1-yl)acetamide (CID 62837229) is N-[(4-cyanophenyl)methyl]-2-(1,4-diazepan-1-yl)acetamide.
What is the SMILES notation for N-[(4-cyanophenyl)methyl]-2-(1,4-diazepan-1-yl)acetamide?
The canonical SMILES for N-[(4-cyanophenyl)methyl]-2-(1,4-diazepan-1-yl)acetamide is N#Cc1ccc(CNC(=O)CN2CCCNCC2)cc1.
What is the InChIKey of N-[(4-cyanophenyl)methyl]-2-(1,4-diazepan-1-yl)acetamide?
The InChIKey is UWEFUYQCJMTFGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O/c16-10-13-2-4-14(5-3-13)11-18-15(20)12-19-8-1-6-17-7-9-19/h2-5,17H,1,6-9,11-12H2,(H,18,20).
What are the key properties of N-[(4-cyanophenyl)methyl]-2-(1,4-diazepan-1-yl)acetamide?
N-[(4-cyanophenyl)methyl]-2-(1,4-diazepan-1-yl)acetamide has a molecular weight of 272.35 g/mol, XLogP of 0.47, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-cyanophenyl)methyl]-2-(1,4-diazepan-1-yl)acetamide is sourced from PubChem (CID 62837229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).