2-[4-(2-cyanophenyl)-1,4-diazepan-1-yl]-2-phenylacetamide

C20H22N4O — CID 47055802

IUPAC2-[4-(2-cyanophenyl)-1,4-diazepan-1-yl]-2-phenylacetamide
SMILESN#Cc1ccccc1N1CCCN(C(C(N)=O)c2ccccc2)CC1
InChIInChI=1S/C20H22N4O/c21-15-17-9-4-5-10-18(17)23-11-6-12-24(14-13-23)19(20(22)25)16-7-2-1-3-8-16/h1-5,7-10,19H,6,11-14H2,(H2,22,25)
InChIKeyAJCXPSHQFPKQAH-UHFFFAOYSA-N
MW334.42 g/mol
LogP2.30
Rot. Bonds4

About 2-[4-(2-cyanophenyl)-1,4-diazepan-1-yl]-2-phenylacetamide

2-[4-(2-cyanophenyl)-1,4-diazepan-1-yl]-2-phenylacetamide (PubChem CID 47055802) has the molecular formula C20H22N4O and a molecular weight of 334.42 g/mol. Its IUPAC name is 2-[4-(2-cyanophenyl)-1,4-diazepan-1-yl]-2-phenylacetamide.

Molecular Properties

Compound Name2-[4-(2-cyanophenyl)-1,4-diazepan-1-yl]-2-phenylacetamide
PubChem CID47055802
Molecular FormulaC20H22N4O
Molecular Weight334.42 g/mol
Exact Mass334.18
IUPAC Name2-[4-(2-cyanophenyl)-1,4-diazepan-1-yl]-2-phenylacetamide
SMILESN#Cc1ccccc1N1CCCN(C(C(N)=O)c2ccccc2)CC1
InChIInChI=1S/C20H22N4O/c21-15-17-9-4-5-10-18(17)23-11-6-12-24(14-13-23)19(20(22)25)16-7-2-1-3-8-16/h1-5,7-10,19H,6,11-14H2,(H2,22,25)
InChIKeyAJCXPSHQFPKQAH-UHFFFAOYSA-N
XLogP2.30
TPSA73.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(2-chlorophenyl)piperazin-1-yl]-2-phenylacetamide
CID 17433888
2-(azocan-1-yl)-2-phenylacetamide
CID 42889497
2-[4-(2-cyanophenyl)-1,4-diazepan-1-yl]-N-(2-ethoxyphenyl)-2-phenylacetamide
CID 60511103
2-phenyl-2-piperidin-1-ylacetamide;hydrochloride
CID 138401908
4-acetyl-2-[4-(2-cyanophenyl)-1,4-diazepan-1-yl]benzonitrile
CID 133456181
2-[4-(3-fluoro-2-nitrophenyl)piperazin-1-yl]-2-phenylacetamide
CID 60579372
(2R)-2-[4-(3-cyano-4,6-dimethyl-2-pyridinyl)piperazin-1-yl]-2-phenylacetamide
CID 31256288
(2R)-2-(4-acetylpiperazin-1-yl)-2-phenylacetamide
CID 51908871
2-(4-acetylpiperazin-1-yl)benzonitrile;ethane
CID 143432462
4-[4-(2-cyanophenyl)piperazin-1-yl]butanamide
CID 68545719
(2R)-2-phenyl-2-piperazin-1-ylacetamide
CID 28805503
2-(4-ethylpiperazin-1-yl)-2-phenylacetamide
CID 86915510

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-cyanophenyl)-1,4-diazepan-1-yl]-2-phenylacetamide?
The IUPAC name of 2-[4-(2-cyanophenyl)-1,4-diazepan-1-yl]-2-phenylacetamide (CID 47055802) is 2-[4-(2-cyanophenyl)-1,4-diazepan-1-yl]-2-phenylacetamide.
What is the SMILES notation for 2-[4-(2-cyanophenyl)-1,4-diazepan-1-yl]-2-phenylacetamide?
The canonical SMILES for 2-[4-(2-cyanophenyl)-1,4-diazepan-1-yl]-2-phenylacetamide is N#Cc1ccccc1N1CCCN(C(C(N)=O)c2ccccc2)CC1.
What is the InChIKey of 2-[4-(2-cyanophenyl)-1,4-diazepan-1-yl]-2-phenylacetamide?
The InChIKey is AJCXPSHQFPKQAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O/c21-15-17-9-4-5-10-18(17)23-11-6-12-24(14-13-23)19(20(22)25)16-7-2-1-3-8-16/h1-5,7-10,19H,6,11-14H2,(H2,22,25).
What are the key properties of 2-[4-(2-cyanophenyl)-1,4-diazepan-1-yl]-2-phenylacetamide?
2-[4-(2-cyanophenyl)-1,4-diazepan-1-yl]-2-phenylacetamide has a molecular weight of 334.42 g/mol, XLogP of 2.30, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-cyanophenyl)-1,4-diazepan-1-yl]-2-phenylacetamide is sourced from PubChem (CID 47055802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).