N-(4-cyanophenyl)-4-(4-ethylpiperazine-1-carbonyl)cyclohexane-1-carboxamide

C21H28N4O2 — CID 109147578

IUPACN-(4-cyanophenyl)-4-(4-ethylpiperazine-1-carbonyl)cyclohexane-1-carboxamide
SMILESCCN1CCN(C(=O)C2CCC(C(=O)Nc3ccc(C#N)cc3)CC2)CC1
InChIInChI=1S/C21H28N4O2/c1-2-24-11-13-25(14-12-24)21(27)18-7-5-17(6-8-18)20(26)23-19-9-3-16(15-22)4-10-19/h3-4,9-10,17-18H,2,5-8,11-14H2,1H3,(H,23,26)
InChIKeySQTNPQLZVTYZIT-UHFFFAOYSA-N
MW368.48 g/mol
LogP2.47
Rot. Bonds4

About N-(4-cyanophenyl)-4-(4-ethylpiperazine-1-carbonyl)cyclohexane-1-carboxamide

N-(4-cyanophenyl)-4-(4-ethylpiperazine-1-carbonyl)cyclohexane-1-carboxamide (PubChem CID 109147578) has the molecular formula C21H28N4O2 and a molecular weight of 368.48 g/mol. Its IUPAC name is N-(4-cyanophenyl)-4-(4-ethylpiperazine-1-carbonyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-(4-cyanophenyl)-4-(4-ethylpiperazine-1-carbonyl)cyclohexane-1-carboxamide
PubChem CID109147578
Molecular FormulaC21H28N4O2
Molecular Weight368.48 g/mol
Exact Mass368.22
IUPAC NameN-(4-cyanophenyl)-4-(4-ethylpiperazine-1-carbonyl)cyclohexane-1-carboxamide
SMILESCCN1CCN(C(=O)C2CCC(C(=O)Nc3ccc(C#N)cc3)CC2)CC1
InChIInChI=1S/C21H28N4O2/c1-2-24-11-13-25(14-12-24)21(27)18-7-5-17(6-8-18)20(26)23-19-9-3-16(15-22)4-10-19/h3-4,9-10,17-18H,2,5-8,11-14H2,1H3,(H,23,26)
InChIKeySQTNPQLZVTYZIT-UHFFFAOYSA-N
XLogP2.47
TPSA76.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Balicatib
CID 10201696
4-(1,1'-Biphenyl)-2-yl-N-((4-cyanophenyl)methyl)-1-piperazinehexanamide
CID 25107716
N-p-Benzeneacetonitrile menthanecarboxamide
CID 44467796
(2S)-N-(cyanomethyl)-4-methyl-2-{[(1S)-2,2,2-trifluoro-1-{4-[4-(piperazin-1-yl)phenyl]phenyl}ethyl]amino}pentanamide
CID 11656060
(2R)-N-(cyanomethyl)-4-methyl-2-{3-[4-(piperazin-1-yl)phenyl]phenyl}pentanamide
CID 9908450
N-(cyanomethyl)-4-methyl-2-{3-[4-(piperazin-1-yl)phenyl]phenyl}pentanamide
CID 10200425
(2R)-N-(cyanomethyl)-4-methyl-2-{3-[4-(4-methylpiperazin-1-yl)phenyl]phenyl}pentanamide
CID 10862359
N-(cyanomethyl)-3-cyclopropyl-2-{3-[4-(4-methylpiperazin-1-yl)phenyl]phenyl}propanamide
CID 10905508
(4S)-N-(cyanomethyl)-4-methyl-2-{3-[4-(4-methylpiperazin-1-yl)phenyl]phenyl}hexanamide
CID 10938664
N-(cyanomethyl)-2-{3-[4-(4-methylpiperazin-1-yl)phenyl]phenyl}pentanamide
CID 10971179
N-(cyanomethyl)-3-cyclobutyl-2-{3-[4-(4-methylpiperazin-1-yl)phenyl]phenyl}propanamide
CID 10993428
N-(cyanomethyl)-4-methyl-2-{3-[4-(4-methylpiperazin-1-yl)phenyl]phenyl}pentanamide
CID 11811557

Frequently Asked Questions

What is the IUPAC name of N-(4-cyanophenyl)-4-(4-ethylpiperazine-1-carbonyl)cyclohexane-1-carboxamide?
The IUPAC name of N-(4-cyanophenyl)-4-(4-ethylpiperazine-1-carbonyl)cyclohexane-1-carboxamide (CID 109147578) is N-(4-cyanophenyl)-4-(4-ethylpiperazine-1-carbonyl)cyclohexane-1-carboxamide.
What is the SMILES notation for N-(4-cyanophenyl)-4-(4-ethylpiperazine-1-carbonyl)cyclohexane-1-carboxamide?
The canonical SMILES for N-(4-cyanophenyl)-4-(4-ethylpiperazine-1-carbonyl)cyclohexane-1-carboxamide is CCN1CCN(C(=O)C2CCC(C(=O)Nc3ccc(C#N)cc3)CC2)CC1.
What is the InChIKey of N-(4-cyanophenyl)-4-(4-ethylpiperazine-1-carbonyl)cyclohexane-1-carboxamide?
The InChIKey is SQTNPQLZVTYZIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O2/c1-2-24-11-13-25(14-12-24)21(27)18-7-5-17(6-8-18)20(26)23-19-9-3-16(15-22)4-10-19/h3-4,9-10,17-18H,2,5-8,11-14H2,1H3,(H,23,26).
What are the key properties of N-(4-cyanophenyl)-4-(4-ethylpiperazine-1-carbonyl)cyclohexane-1-carboxamide?
N-(4-cyanophenyl)-4-(4-ethylpiperazine-1-carbonyl)cyclohexane-1-carboxamide has a molecular weight of 368.48 g/mol, XLogP of 2.47, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyanophenyl)-4-(4-ethylpiperazine-1-carbonyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 109147578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).