N-(2-cyanophenyl)-2-(4-phenylpiperazin-1-yl)propanamide

C20H22N4O — CID 46800715

IUPACN-(2-cyanophenyl)-2-(4-phenylpiperazin-1-yl)propanamide
SMILESCC(C(=O)Nc1ccccc1C#N)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C20H22N4O/c1-16(20(25)22-19-10-6-5-7-17(19)15-21)23-11-13-24(14-12-23)18-8-3-2-4-9-18/h2-10,16H,11-14H2,1H3,(H,22,25)
InChIKeyUKDDDHJIGZXOHO-UHFFFAOYSA-N
MW334.42 g/mol
LogP2.71
Rot. Bonds4

About N-(2-cyanophenyl)-2-(4-phenylpiperazin-1-yl)propanamide

N-(2-cyanophenyl)-2-(4-phenylpiperazin-1-yl)propanamide (PubChem CID 46800715) has the molecular formula C20H22N4O and a molecular weight of 334.42 g/mol. Its IUPAC name is N-(2-cyanophenyl)-2-(4-phenylpiperazin-1-yl)propanamide.

Molecular Properties

Compound NameN-(2-cyanophenyl)-2-(4-phenylpiperazin-1-yl)propanamide
PubChem CID46800715
Molecular FormulaC20H22N4O
Molecular Weight334.42 g/mol
Exact Mass334.18
IUPAC NameN-(2-cyanophenyl)-2-(4-phenylpiperazin-1-yl)propanamide
SMILESCC(C(=O)Nc1ccccc1C#N)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C20H22N4O/c1-16(20(25)22-19-10-6-5-7-17(19)15-21)23-11-13-24(14-12-23)18-8-3-2-4-9-18/h2-10,16H,11-14H2,1H3,(H,22,25)
InChIKeyUKDDDHJIGZXOHO-UHFFFAOYSA-N
XLogP2.71
TPSA59.37 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 ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-cyanophenyl)-2-[4-(4-hydroxyphenyl)piperazin-1-yl]propanamide
CID 51167878
2-(4-benzoylpiperazin-1-yl)-N-(2-cyanophenyl)propanamide
CID 46801865
(2S)-2-(4-phenylpiperazin-1-yl)-N-(2-propan-2-ylphenyl)propanamide
CID 9250174
N-(2-cyanophenyl)-2-(4-methyl-1,4-diazepan-1-yl)propanamide
CID 42912101
1-[1-(2-cyanoanilino)-1-oxopropan-2-yl]-N-phenylpiperidine-4-carboxamide
CID 17487362
(2R)-N-(2-cyanophenyl)-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]propanamide
CID 8853108
(2R)-N-(2-cyanophenyl)-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)propanamide
CID 8513088
(2R)-N-(2,4-dimethylphenyl)-2-(4-phenylpiperazin-1-yl)propanamide
CID 9250150
(2R)-N-(2-cyanophenyl)-2-(3-oxopiperazin-1-yl)propanamide
CID 8516450
N-(2-acetylphenyl)-2-[4-(3-cyano-2-pyridinyl)piperazin-1-yl]propanamide
CID 78829253
(2S)-N-(2-methylphenyl)-2-[4-(4-nitrophenyl)piperazin-1-yl]propanamide
CID 31629845
(2R)-N-[(2R)-2-cyano-3-methylbutan-2-yl]-2-(4-phenylpiperazin-1-yl)propanamide
CID 41084376

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanophenyl)-2-(4-phenylpiperazin-1-yl)propanamide?
The IUPAC name of N-(2-cyanophenyl)-2-(4-phenylpiperazin-1-yl)propanamide (CID 46800715) is N-(2-cyanophenyl)-2-(4-phenylpiperazin-1-yl)propanamide.
What is the SMILES notation for N-(2-cyanophenyl)-2-(4-phenylpiperazin-1-yl)propanamide?
The canonical SMILES for N-(2-cyanophenyl)-2-(4-phenylpiperazin-1-yl)propanamide is CC(C(=O)Nc1ccccc1C#N)N1CCN(c2ccccc2)CC1.
What is the InChIKey of N-(2-cyanophenyl)-2-(4-phenylpiperazin-1-yl)propanamide?
The InChIKey is UKDDDHJIGZXOHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O/c1-16(20(25)22-19-10-6-5-7-17(19)15-21)23-11-13-24(14-12-23)18-8-3-2-4-9-18/h2-10,16H,11-14H2,1H3,(H,22,25).
What are the key properties of N-(2-cyanophenyl)-2-(4-phenylpiperazin-1-yl)propanamide?
N-(2-cyanophenyl)-2-(4-phenylpiperazin-1-yl)propanamide has a molecular weight of 334.42 g/mol, XLogP of 2.71, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanophenyl)-2-(4-phenylpiperazin-1-yl)propanamide is sourced from PubChem (CID 46800715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).