N-(3-cyanophenyl)-4-[2-(dimethylamino)ethyl]piperazine-1-carboxamide

C16H23N5O — CID 113105776

IUPACN-(3-cyanophenyl)-4-[2-(dimethylamino)ethyl]piperazine-1-carboxamide
SMILESCN(C)CCN1CCN(C(=O)Nc2cccc(C#N)c2)CC1
InChIInChI=1S/C16H23N5O/c1-19(2)6-7-20-8-10-21(11-9-20)16(22)18-15-5-3-4-14(12-15)13-17/h3-5,12H,6-11H2,1-2H3,(H,18,22)
InChIKeyHYJVJDQVEZHEQG-UHFFFAOYSA-N
MW301.39 g/mol
LogP1.27
Rot. Bonds4

About N-(3-cyanophenyl)-4-[2-(dimethylamino)ethyl]piperazine-1-carboxamide

N-(3-cyanophenyl)-4-[2-(dimethylamino)ethyl]piperazine-1-carboxamide (PubChem CID 113105776) has the molecular formula C16H23N5O and a molecular weight of 301.39 g/mol. Its IUPAC name is N-(3-cyanophenyl)-4-[2-(dimethylamino)ethyl]piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(3-cyanophenyl)-4-[2-(dimethylamino)ethyl]piperazine-1-carboxamide
PubChem CID113105776
Molecular FormulaC16H23N5O
Molecular Weight301.39 g/mol
Exact Mass301.19
IUPAC NameN-(3-cyanophenyl)-4-[2-(dimethylamino)ethyl]piperazine-1-carboxamide
SMILESCN(C)CCN1CCN(C(=O)Nc2cccc(C#N)c2)CC1
InChIInChI=1S/C16H23N5O/c1-19(2)6-7-20-8-10-21(11-9-20)16(22)18-15-5-3-4-14(12-15)13-17/h3-5,12H,6-11H2,1-2H3,(H,18,22)
InChIKeyHYJVJDQVEZHEQG-UHFFFAOYSA-N
XLogP1.27
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 ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-cyanophenyl)-4-(dimethylamino)azepane-1-carboxamide
CID 56900491
N-(3-cyanophenyl)-4-[(4-fluorophenyl)methyl]piperazine-1-carboxamide
CID 113107615
N-(3-cyanophenyl)-3-hydroxy-4-methylpiperidine-1-carboxamide
CID 103896286
(3R)-N-(3-cyanophenyl)-3-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]piperidine-1-carboxamide
CID 97193180
(3S)-N-(3-cyanophenyl)-3-[[methyl(propyl)amino]methyl]pyrrolidine-1-carboxamide
CID 95783482
N-(3-cyanophenyl)-4-[(3,4-dimethoxyphenyl)methyl]piperazine-1-carboxamide
CID 113109998
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-[2-(dimethylamino)ethyl]piperazine-1-carboxamide
CID 113105757
N-(3-cyanophenyl)-4-[(2S)-1-methoxypropan-2-yl]piperazine-1-carboxamide
CID 95333968
N-(3-cyanophenyl)-4-[2-(diethylamino)ethoxy]piperidine-1-carboxamide
CID 75423322
4-(2-tert-butylphenyl)-N-(3-cyanophenyl)piperazine-1-carboxamide
CID 113112618
N-(3-cyanophenyl)-4-(2-ethoxyphenyl)piperazine-1-carboxamide
CID 113113682
N-(3-cyanophenyl)-4-[methyl(pyridazin-3-yl)amino]piperidine-1-carboxamide
CID 84599104

Frequently Asked Questions

What is the IUPAC name of N-(3-cyanophenyl)-4-[2-(dimethylamino)ethyl]piperazine-1-carboxamide?
The IUPAC name of N-(3-cyanophenyl)-4-[2-(dimethylamino)ethyl]piperazine-1-carboxamide (CID 113105776) is N-(3-cyanophenyl)-4-[2-(dimethylamino)ethyl]piperazine-1-carboxamide.
What is the SMILES notation for N-(3-cyanophenyl)-4-[2-(dimethylamino)ethyl]piperazine-1-carboxamide?
The canonical SMILES for N-(3-cyanophenyl)-4-[2-(dimethylamino)ethyl]piperazine-1-carboxamide is CN(C)CCN1CCN(C(=O)Nc2cccc(C#N)c2)CC1.
What is the InChIKey of N-(3-cyanophenyl)-4-[2-(dimethylamino)ethyl]piperazine-1-carboxamide?
The InChIKey is HYJVJDQVEZHEQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5O/c1-19(2)6-7-20-8-10-21(11-9-20)16(22)18-15-5-3-4-14(12-15)13-17/h3-5,12H,6-11H2,1-2H3,(H,18,22).
What are the key properties of N-(3-cyanophenyl)-4-[2-(dimethylamino)ethyl]piperazine-1-carboxamide?
N-(3-cyanophenyl)-4-[2-(dimethylamino)ethyl]piperazine-1-carboxamide has a molecular weight of 301.39 g/mol, XLogP of 1.27, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyanophenyl)-4-[2-(dimethylamino)ethyl]piperazine-1-carboxamide is sourced from PubChem (CID 113105776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).