N-(3-cyanophenyl)-3,5-dimethylpiperazine-1-carboxamide

C14H18N4O — CID 63872709

IUPACN-(3-cyanophenyl)-3,5-dimethylpiperazine-1-carboxamide
SMILESCC1CN(C(=O)Nc2cccc(C#N)c2)CC(C)N1
InChIInChI=1S/C14H18N4O/c1-10-8-18(9-11(2)16-10)14(19)17-13-5-3-4-12(6-13)7-15/h3-6,10-11,16H,8-9H2,1-2H3,(H,17,19)
InChIKeyPIZBWZLFERCGAG-UHFFFAOYSA-N
MW258.32 g/mol
LogP1.77
Rot. Bonds1

About N-(3-cyanophenyl)-3,5-dimethylpiperazine-1-carboxamide

N-(3-cyanophenyl)-3,5-dimethylpiperazine-1-carboxamide (PubChem CID 63872709) has the molecular formula C14H18N4O and a molecular weight of 258.32 g/mol. Its IUPAC name is N-(3-cyanophenyl)-3,5-dimethylpiperazine-1-carboxamide.

Molecular Properties

Compound NameN-(3-cyanophenyl)-3,5-dimethylpiperazine-1-carboxamide
PubChem CID63872709
Molecular FormulaC14H18N4O
Molecular Weight258.32 g/mol
Exact Mass258.15
IUPAC NameN-(3-cyanophenyl)-3,5-dimethylpiperazine-1-carboxamide
SMILESCC1CN(C(=O)Nc2cccc(C#N)c2)CC(C)N1
InChIInChI=1S/C14H18N4O/c1-10-8-18(9-11(2)16-10)14(19)17-13-5-3-4-12(6-13)7-15/h3-6,10-11,16H,8-9H2,1-2H3,(H,17,19)
InChIKeyPIZBWZLFERCGAG-UHFFFAOYSA-N
XLogP1.77
TPSA68.16 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-cyanophenyl)-3-hydroxy-4-methylpiperidine-1-carboxamide
CID 103896286
N-(3-cyanophenyl)-5-hydroxy-5-methyl-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrole-2-carboxamide
CID 123772009
(3R,4R)-N-(3-cyanophenyl)-3-(dimethylamino)-4-methylsulfanylpyrrolidine-1-carboxamide
CID 97328470
(3S)-N-[4-(3-cyanophenyl)-5-(2,6-dimethyl-4-pyridinyl)-1,3-thiazol-2-yl]-3,5-dimethylpiperazine-1-carboxamide
CID 166959531
N-(3-cyanophenyl)-5-oxo-1,4-diazepane-1-carboxamide
CID 60969059
N-(3-cyanophenyl)-4-(dimethylamino)azepane-1-carboxamide
CID 56900491
4-(2-tert-butylphenyl)-N-(3-cyanophenyl)piperazine-1-carboxamide
CID 113112618
N-(3-cyanophenyl)-4-[2-(dimethylamino)ethyl]piperazine-1-carboxamide
CID 113105776
(3S)-N-(3-cyanophenyl)-3-[[methyl(propyl)amino]methyl]pyrrolidine-1-carboxamide
CID 95783482
N-(3-cyanophenyl)-2-(3,5-dimethylpiperidin-1-yl)propanamide
CID 18083490
1-(3-cyanophenyl)-3-[3-[(3-cyanophenyl)carbamoylamino]phenyl]urea
CID 11101346
N-(3-cyanophenyl)-4-[(4-fluorophenyl)methyl]piperazine-1-carboxamide
CID 113107615

Frequently Asked Questions

What is the IUPAC name of N-(3-cyanophenyl)-3,5-dimethylpiperazine-1-carboxamide?
The IUPAC name of N-(3-cyanophenyl)-3,5-dimethylpiperazine-1-carboxamide (CID 63872709) is N-(3-cyanophenyl)-3,5-dimethylpiperazine-1-carboxamide.
What is the SMILES notation for N-(3-cyanophenyl)-3,5-dimethylpiperazine-1-carboxamide?
The canonical SMILES for N-(3-cyanophenyl)-3,5-dimethylpiperazine-1-carboxamide is CC1CN(C(=O)Nc2cccc(C#N)c2)CC(C)N1.
What is the InChIKey of N-(3-cyanophenyl)-3,5-dimethylpiperazine-1-carboxamide?
The InChIKey is PIZBWZLFERCGAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O/c1-10-8-18(9-11(2)16-10)14(19)17-13-5-3-4-12(6-13)7-15/h3-6,10-11,16H,8-9H2,1-2H3,(H,17,19).
What are the key properties of N-(3-cyanophenyl)-3,5-dimethylpiperazine-1-carboxamide?
N-(3-cyanophenyl)-3,5-dimethylpiperazine-1-carboxamide has a molecular weight of 258.32 g/mol, XLogP of 1.77, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyanophenyl)-3,5-dimethylpiperazine-1-carboxamide is sourced from PubChem (CID 63872709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).