4-(4-ethylpiperazine-1-carbonyl)-N-(2-propan-2-ylphenyl)cyclohexane-1-carboxamide

C23H35N3O2 — CID 109147545

IUPAC4-(4-ethylpiperazine-1-carbonyl)-N-(2-propan-2-ylphenyl)cyclohexane-1-carboxamide
SMILESCCN1CCN(C(=O)C2CCC(C(=O)Nc3ccccc3C(C)C)CC2)CC1
InChIInChI=1S/C23H35N3O2/c1-4-25-13-15-26(16-14-25)23(28)19-11-9-18(10-12-19)22(27)24-21-8-6-5-7-20(21)17(2)3/h5-8,17-19H,4,9-16H2,1-3H3,(H,24,27)
InChIKeyLGQRLUIAZAUHEU-UHFFFAOYSA-N
MW385.55 g/mol
LogP3.72
Rot. Bonds5

About 4-(4-ethylpiperazine-1-carbonyl)-N-(2-propan-2-ylphenyl)cyclohexane-1-carboxamide

4-(4-ethylpiperazine-1-carbonyl)-N-(2-propan-2-ylphenyl)cyclohexane-1-carboxamide (PubChem CID 109147545) has the molecular formula C23H35N3O2 and a molecular weight of 385.55 g/mol. Its IUPAC name is 4-(4-ethylpiperazine-1-carbonyl)-N-(2-propan-2-ylphenyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-(4-ethylpiperazine-1-carbonyl)-N-(2-propan-2-ylphenyl)cyclohexane-1-carboxamide
PubChem CID109147545
Molecular FormulaC23H35N3O2
Molecular Weight385.55 g/mol
Exact Mass385.27
IUPAC Name4-(4-ethylpiperazine-1-carbonyl)-N-(2-propan-2-ylphenyl)cyclohexane-1-carboxamide
SMILESCCN1CCN(C(=O)C2CCC(C(=O)Nc3ccccc3C(C)C)CC2)CC1
InChIInChI=1S/C23H35N3O2/c1-4-25-13-15-26(16-14-25)23(28)19-11-9-18(10-12-19)22(27)24-21-8-6-5-7-20(21)17(2)3/h5-8,17-19H,4,9-16H2,1-3H3,(H,24,27)
InChIKeyLGQRLUIAZAUHEU-UHFFFAOYSA-N
XLogP3.72
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.55
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-ethylphenyl)-4-(4-ethylpiperazine-1-carbonyl)cyclohexane-1-carboxamide
CID 109147541
4-(4-methylpiperidine-1-carbonyl)-N-(2-propan-2-ylphenyl)cyclohexane-1-carboxamide
CID 109146286
1-(oxane-4-carbonyl)-N-(2-propan-2-ylphenyl)piperidine-4-carboxamide
CID 113006797
1-(cyclopropylmethyl)-N-(2-propan-2-ylphenyl)piperidine-4-carboxamide
CID 171097073
N-[2-[(2S)-butan-2-yl]phenyl]cyclopropanecarboxamide
CID 9497565
4-[(2-propan-2-ylphenyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 63788003
N-[2,6-di(propan-2-yl)phenyl]-4-(pyrrolidine-1-carbonyl)cyclohexane-1-carboxamide
CID 109145734
1-(2-methoxyethyl)-N-(2-propan-2-ylphenyl)piperidine-4-carboxamide
CID 171096968
4-N-propan-2-yl-1-N-(2-propan-2-ylphenyl)cyclohexane-1,4-dicarboxamide
CID 109144556
N-(4-chlorophenyl)-4-(4-ethylpiperazine-1-carbonyl)cyclohexane-1-carboxamide
CID 109147556
(4-ethylpiperazin-1-yl)-[1-[(2R)-2-phenylpropyl]piperidin-4-yl]methanone
CID 795735
1-[2-oxo-2-(2-propan-2-ylanilino)ethyl]-N-phenylpiperidine-4-carboxamide
CID 9134290

Frequently Asked Questions

What is the IUPAC name of 4-(4-ethylpiperazine-1-carbonyl)-N-(2-propan-2-ylphenyl)cyclohexane-1-carboxamide?
The IUPAC name of 4-(4-ethylpiperazine-1-carbonyl)-N-(2-propan-2-ylphenyl)cyclohexane-1-carboxamide (CID 109147545) is 4-(4-ethylpiperazine-1-carbonyl)-N-(2-propan-2-ylphenyl)cyclohexane-1-carboxamide.
What is the SMILES notation for 4-(4-ethylpiperazine-1-carbonyl)-N-(2-propan-2-ylphenyl)cyclohexane-1-carboxamide?
The canonical SMILES for 4-(4-ethylpiperazine-1-carbonyl)-N-(2-propan-2-ylphenyl)cyclohexane-1-carboxamide is CCN1CCN(C(=O)C2CCC(C(=O)Nc3ccccc3C(C)C)CC2)CC1.
What is the InChIKey of 4-(4-ethylpiperazine-1-carbonyl)-N-(2-propan-2-ylphenyl)cyclohexane-1-carboxamide?
The InChIKey is LGQRLUIAZAUHEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H35N3O2/c1-4-25-13-15-26(16-14-25)23(28)19-11-9-18(10-12-19)22(27)24-21-8-6-5-7-20(21)17(2)3/h5-8,17-19H,4,9-16H2,1-3H3,(H,24,27).
What are the key properties of 4-(4-ethylpiperazine-1-carbonyl)-N-(2-propan-2-ylphenyl)cyclohexane-1-carboxamide?
4-(4-ethylpiperazine-1-carbonyl)-N-(2-propan-2-ylphenyl)cyclohexane-1-carboxamide has a molecular weight of 385.55 g/mol, XLogP of 3.72, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-ethylpiperazine-1-carbonyl)-N-(2-propan-2-ylphenyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 109147545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).