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

C16H23N5O — CID 14763476

IUPAC4-(4-cyanophenyl)-N-[2-(dimethylamino)ethyl]piperazine-1-carboxamide
SMILESCN(C)CCNC(=O)N1CCN(c2ccc(C#N)cc2)CC1
InChIInChI=1S/C16H23N5O/c1-19(2)8-7-18-16(22)21-11-9-20(10-12-21)15-5-3-14(13-17)4-6-15/h3-6H,7-12H2,1-2H3,(H,18,22)
InChIKeyNBNNMKQJNBWORK-UHFFFAOYSA-N
MW301.39 g/mol
LogP0.95
Rot. Bonds4

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

4-(4-cyanophenyl)-N-[2-(dimethylamino)ethyl]piperazine-1-carboxamide (PubChem CID 14763476) has the molecular formula C16H23N5O and a molecular weight of 301.39 g/mol. Its IUPAC name is 4-(4-cyanophenyl)-N-[2-(dimethylamino)ethyl]piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(4-cyanophenyl)-N-[2-(dimethylamino)ethyl]piperazine-1-carboxamide
PubChem CID14763476
Molecular FormulaC16H23N5O
Molecular Weight301.39 g/mol
Exact Mass301.19
IUPAC Name4-(4-cyanophenyl)-N-[2-(dimethylamino)ethyl]piperazine-1-carboxamide
SMILESCN(C)CCNC(=O)N1CCN(c2ccc(C#N)cc2)CC1
InChIInChI=1S/C16H23N5O/c1-19(2)8-7-18-16(22)21-11-9-20(10-12-21)15-5-3-14(13-17)4-6-15/h3-6H,7-12H2,1-2H3,(H,18,22)
InChIKeyNBNNMKQJNBWORK-UHFFFAOYSA-N
XLogP0.95
TPSA62.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-aminophenyl)-N-[2-(dimethylamino)ethyl]piperazine-1-carboxamide
CID 14763494
N-[2-(dimethylamino)ethyl]-4-(4-phenylmethoxyphenyl)piperazine-1-carboxamide
CID 113105867
4-(4-bromo-3-methylphenyl)-N-[2-(dimethylamino)ethyl]piperazine-1-carboxamide
CID 113105872
4-(3-acetamidophenyl)-N-[2-(dimethylamino)ethyl]piperazine-1-carboxamide
CID 113105854
4-(4-cyanophenyl)-N-phenylpiperazine-1-carboxamide
CID 113081072
4-(4-cyanophenyl)-N-(3,5-dimethylphenyl)piperazine-1-carboxamide
CID 113111826
4-(3,4-difluorophenyl)-N-[3-(dimethylamino)propyl]piperazine-1-carboxamide
CID 113106366
N-[2-(dimethylamino)ethyl]-4-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide;hydrochloride
CID 22163785
N'-(4-cyanophenyl)-N-[2-(dimethylamino)ethyl]oxamide
CID 108519474
4-[4-[2-(diethylamino)acetyl]piperazin-1-yl]benzonitrile
CID 133287871
N-[2-(dimethylamino)ethyl]-4-(2,3,4-trifluorophenyl)piperazine-1-carboxamide
CID 113105892
N-[2-(dimethylamino)ethyl]-3-oxo-3-(4-phenylpiperazin-1-yl)propanamide
CID 108943819

Frequently Asked Questions

What is the IUPAC name of 4-(4-cyanophenyl)-N-[2-(dimethylamino)ethyl]piperazine-1-carboxamide?
The IUPAC name of 4-(4-cyanophenyl)-N-[2-(dimethylamino)ethyl]piperazine-1-carboxamide (CID 14763476) is 4-(4-cyanophenyl)-N-[2-(dimethylamino)ethyl]piperazine-1-carboxamide.
What is the SMILES notation for 4-(4-cyanophenyl)-N-[2-(dimethylamino)ethyl]piperazine-1-carboxamide?
The canonical SMILES for 4-(4-cyanophenyl)-N-[2-(dimethylamino)ethyl]piperazine-1-carboxamide is CN(C)CCNC(=O)N1CCN(c2ccc(C#N)cc2)CC1.
What is the InChIKey of 4-(4-cyanophenyl)-N-[2-(dimethylamino)ethyl]piperazine-1-carboxamide?
The InChIKey is NBNNMKQJNBWORK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5O/c1-19(2)8-7-18-16(22)21-11-9-20(10-12-21)15-5-3-14(13-17)4-6-15/h3-6H,7-12H2,1-2H3,(H,18,22).
What are the key properties of 4-(4-cyanophenyl)-N-[2-(dimethylamino)ethyl]piperazine-1-carboxamide?
4-(4-cyanophenyl)-N-[2-(dimethylamino)ethyl]piperazine-1-carboxamide has a molecular weight of 301.39 g/mol, XLogP of 0.95, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-cyanophenyl)-N-[2-(dimethylamino)ethyl]piperazine-1-carboxamide is sourced from PubChem (CID 14763476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).