N-(4-cyanophenyl)-4-(3-methylbutyl)piperazine-1-carboxamide

C17H24N4O — CID 113110702

IUPACN-(4-cyanophenyl)-4-(3-methylbutyl)piperazine-1-carboxamide
SMILESCC(C)CCN1CCN(C(=O)Nc2ccc(C#N)cc2)CC1
InChIInChI=1S/C17H24N4O/c1-14(2)7-8-20-9-11-21(12-10-20)17(22)19-16-5-3-15(13-18)4-6-16/h3-6,14H,7-12H2,1-2H3,(H,19,22)
InChIKeyRUBIVWGQGCDZIO-UHFFFAOYSA-N
MW300.41 g/mol
LogP2.75
Rot. Bonds4

About N-(4-cyanophenyl)-4-(3-methylbutyl)piperazine-1-carboxamide

N-(4-cyanophenyl)-4-(3-methylbutyl)piperazine-1-carboxamide (PubChem CID 113110702) has the molecular formula C17H24N4O and a molecular weight of 300.41 g/mol. Its IUPAC name is N-(4-cyanophenyl)-4-(3-methylbutyl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(4-cyanophenyl)-4-(3-methylbutyl)piperazine-1-carboxamide
PubChem CID113110702
Molecular FormulaC17H24N4O
Molecular Weight300.41 g/mol
Exact Mass300.20
IUPAC NameN-(4-cyanophenyl)-4-(3-methylbutyl)piperazine-1-carboxamide
SMILESCC(C)CCN1CCN(C(=O)Nc2ccc(C#N)cc2)CC1
InChIInChI=1S/C17H24N4O/c1-14(2)7-8-20-9-11-21(12-10-20)17(22)19-16-5-3-15(13-18)4-6-16/h3-6,14H,7-12H2,1-2H3,(H,19,22)
InChIKeyRUBIVWGQGCDZIO-UHFFFAOYSA-N
XLogP2.75
TPSA59.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.41
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-cyanophenyl)-4-pentylpiperazine-1-carboxamide
CID 113110843
4-(3-methylbutyl)-N-phenylpiperazine-1-carboxamide
CID 17183789
N-(4-cyanophenyl)-4-[2-(4-methoxyphenoxy)ethyl]piperazine-1-carboxamide
CID 38159589
N-(4-cyanophenyl)piperidine-1-carboxamide
CID 89462027
3-(4-acetylpiperazin-1-yl)-N-(4-cyanophenyl)propanamide
CID 28793141
4-(4-cyanophenyl)-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide
CID 23799232
N-(4-cyanophenyl)-4-formylpiperazine-1-carboxamide
CID 23875995
N-(4-cyanophenyl)morpholine-4-carboxamide
CID 4984315
1-N-benzyl-4-N-(4-cyanophenyl)piperazine-1,4-dicarboxamide
CID 23820519
ethyl 4-[3-(4-cyanoanilino)-3-oxopropyl]piperazine-1-carboxylate
CID 33406443
N-(3-cyanophenyl)-4-[2-(dimethylamino)ethyl]piperazine-1-carboxamide
CID 113105776
(3S)-3-amino-N-(4-cyanophenyl)pyrrolidine-1-carboxamide
CID 113282408

Frequently Asked Questions

What is the IUPAC name of N-(4-cyanophenyl)-4-(3-methylbutyl)piperazine-1-carboxamide?
The IUPAC name of N-(4-cyanophenyl)-4-(3-methylbutyl)piperazine-1-carboxamide (CID 113110702) is N-(4-cyanophenyl)-4-(3-methylbutyl)piperazine-1-carboxamide.
What is the SMILES notation for N-(4-cyanophenyl)-4-(3-methylbutyl)piperazine-1-carboxamide?
The canonical SMILES for N-(4-cyanophenyl)-4-(3-methylbutyl)piperazine-1-carboxamide is CC(C)CCN1CCN(C(=O)Nc2ccc(C#N)cc2)CC1.
What is the InChIKey of N-(4-cyanophenyl)-4-(3-methylbutyl)piperazine-1-carboxamide?
The InChIKey is RUBIVWGQGCDZIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O/c1-14(2)7-8-20-9-11-21(12-10-20)17(22)19-16-5-3-15(13-18)4-6-16/h3-6,14H,7-12H2,1-2H3,(H,19,22).
What are the key properties of N-(4-cyanophenyl)-4-(3-methylbutyl)piperazine-1-carboxamide?
N-(4-cyanophenyl)-4-(3-methylbutyl)piperazine-1-carboxamide has a molecular weight of 300.41 g/mol, XLogP of 2.75, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyanophenyl)-4-(3-methylbutyl)piperazine-1-carboxamide is sourced from PubChem (CID 113110702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).