4-[(4-cyanophenyl)methyl]-N-[2-(dimethylamino)-2-phenylethyl]piperazine-1-carboxamide

C23H29N5O — CID 55457532

IUPAC4-[(4-cyanophenyl)methyl]-N-[2-(dimethylamino)-2-phenylethyl]piperazine-1-carboxamide
SMILESCN(C)C(CNC(=O)N1CCN(Cc2ccc(C#N)cc2)CC1)c1ccccc1
InChIInChI=1S/C23H29N5O/c1-26(2)22(21-6-4-3-5-7-21)17-25-23(29)28-14-12-27(13-15-28)18-20-10-8-19(16-24)9-11-20/h3-11,22H,12-15,17-18H2,1-2H3,(H,25,29)
InChIKeyCEIHVIKHRWIONH-UHFFFAOYSA-N
MW391.52 g/mol
LogP2.69
Rot. Bonds6

About 4-[(4-cyanophenyl)methyl]-N-[2-(dimethylamino)-2-phenylethyl]piperazine-1-carboxamide

4-[(4-cyanophenyl)methyl]-N-[2-(dimethylamino)-2-phenylethyl]piperazine-1-carboxamide (PubChem CID 55457532) has the molecular formula C23H29N5O and a molecular weight of 391.52 g/mol. Its IUPAC name is 4-[(4-cyanophenyl)methyl]-N-[2-(dimethylamino)-2-phenylethyl]piperazine-1-carboxamide.

Molecular Properties

Compound Name4-[(4-cyanophenyl)methyl]-N-[2-(dimethylamino)-2-phenylethyl]piperazine-1-carboxamide
PubChem CID55457532
Molecular FormulaC23H29N5O
Molecular Weight391.52 g/mol
Exact Mass391.24
IUPAC Name4-[(4-cyanophenyl)methyl]-N-[2-(dimethylamino)-2-phenylethyl]piperazine-1-carboxamide
SMILESCN(C)C(CNC(=O)N1CCN(Cc2ccc(C#N)cc2)CC1)c1ccccc1
InChIInChI=1S/C23H29N5O/c1-26(2)22(21-6-4-3-5-7-21)17-25-23(29)28-14-12-27(13-15-28)18-20-10-8-19(16-24)9-11-20/h3-11,22H,12-15,17-18H2,1-2H3,(H,25,29)
InChIKeyCEIHVIKHRWIONH-UHFFFAOYSA-N
XLogP2.69
TPSA62.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.52
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(4-cyanophenyl)methyl]-N-[cyclopropyl(phenyl)methyl]piperazine-1-carboxamide
CID 46493889
2-[4-[(4-cyanophenyl)methyl]piperazin-1-yl]-N-(1-phenylethyl)acetamide
CID 55355595
[(1R)-3-[4-[(4-cyanophenyl)methyl]piperazin-1-yl]-3-oxo-1-phenylpropyl]urea
CID 31475605
N-[2-[4-[(4-cyanophenyl)methyl]piperazin-1-yl]-2-oxoethyl]-2-phenoxyacetamide
CID 27755996
4-[3-(4-benzylpiperazin-1-yl)-3-oxopropyl]benzonitrile
CID 31946879
2-[4-[(4-cyanophenyl)methyl]piperazin-1-yl]-N,2-diphenylacetamide
CID 46667188
N,4-dibenzylpiperazine-1-carboxamide;ethane
CID 91343107
4-[[4-(3-phenylprop-2-enoyl)piperazin-1-yl]methyl]benzonitrile
CID 75127203
2-[4-[(4-cyanophenyl)methyl]piperazin-1-yl]acetic acid
CID 43396853
4-[(4-methylphenyl)methyl]-N-(2-methylpropyl)piperazine-1-carboxamide
CID 113104047
(2S)-2-[4-[(4-cyanophenyl)methyl]piperazin-1-yl]-N-(4-methylphenyl)-2-phenylacetamide
CID 9398852
(2R)-2-[4-[(4-cyanophenyl)methyl]piperazin-1-yl]-N-[(1R)-1-phenylbutyl]propanamide
CID 9348711

Frequently Asked Questions

What is the IUPAC name of 4-[(4-cyanophenyl)methyl]-N-[2-(dimethylamino)-2-phenylethyl]piperazine-1-carboxamide?
The IUPAC name of 4-[(4-cyanophenyl)methyl]-N-[2-(dimethylamino)-2-phenylethyl]piperazine-1-carboxamide (CID 55457532) is 4-[(4-cyanophenyl)methyl]-N-[2-(dimethylamino)-2-phenylethyl]piperazine-1-carboxamide.
What is the SMILES notation for 4-[(4-cyanophenyl)methyl]-N-[2-(dimethylamino)-2-phenylethyl]piperazine-1-carboxamide?
The canonical SMILES for 4-[(4-cyanophenyl)methyl]-N-[2-(dimethylamino)-2-phenylethyl]piperazine-1-carboxamide is CN(C)C(CNC(=O)N1CCN(Cc2ccc(C#N)cc2)CC1)c1ccccc1.
What is the InChIKey of 4-[(4-cyanophenyl)methyl]-N-[2-(dimethylamino)-2-phenylethyl]piperazine-1-carboxamide?
The InChIKey is CEIHVIKHRWIONH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N5O/c1-26(2)22(21-6-4-3-5-7-21)17-25-23(29)28-14-12-27(13-15-28)18-20-10-8-19(16-24)9-11-20/h3-11,22H,12-15,17-18H2,1-2H3,(H,25,29).
What are the key properties of 4-[(4-cyanophenyl)methyl]-N-[2-(dimethylamino)-2-phenylethyl]piperazine-1-carboxamide?
4-[(4-cyanophenyl)methyl]-N-[2-(dimethylamino)-2-phenylethyl]piperazine-1-carboxamide has a molecular weight of 391.52 g/mol, XLogP of 2.69, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-cyanophenyl)methyl]-N-[2-(dimethylamino)-2-phenylethyl]piperazine-1-carboxamide is sourced from PubChem (CID 55457532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).