4-(4-butoxybenzoyl)-N-cyclohexylpiperazine-1-carboxamide

C22H33N3O3 — CID 55558062

IUPAC4-(4-butoxybenzoyl)-N-cyclohexylpiperazine-1-carboxamide
SMILESCCCCOc1ccc(C(=O)N2CCN(C(=O)NC3CCCCC3)CC2)cc1
InChIInChI=1S/C22H33N3O3/c1-2-3-17-28-20-11-9-18(10-12-20)21(26)24-13-15-25(16-14-24)22(27)23-19-7-5-4-6-8-19/h9-12,19H,2-8,13-17H2,1H3,(H,23,27)
InChIKeyIENBBPZMGHCQHX-UHFFFAOYSA-N
MW387.52 g/mol
LogP3.67
Rot. Bonds6

About 4-(4-butoxybenzoyl)-N-cyclohexylpiperazine-1-carboxamide

4-(4-butoxybenzoyl)-N-cyclohexylpiperazine-1-carboxamide (PubChem CID 55558062) has the molecular formula C22H33N3O3 and a molecular weight of 387.52 g/mol. Its IUPAC name is 4-(4-butoxybenzoyl)-N-cyclohexylpiperazine-1-carboxamide.

Molecular Properties

Compound Name4-(4-butoxybenzoyl)-N-cyclohexylpiperazine-1-carboxamide
PubChem CID55558062
Molecular FormulaC22H33N3O3
Molecular Weight387.52 g/mol
Exact Mass387.25
IUPAC Name4-(4-butoxybenzoyl)-N-cyclohexylpiperazine-1-carboxamide
SMILESCCCCOc1ccc(C(=O)N2CCN(C(=O)NC3CCCCC3)CC2)cc1
InChIInChI=1S/C22H33N3O3/c1-2-3-17-28-20-11-9-18(10-12-20)21(26)24-13-15-25(16-14-24)22(27)23-19-7-5-4-6-8-19/h9-12,19H,2-8,13-17H2,1H3,(H,23,27)
InChIKeyIENBBPZMGHCQHX-UHFFFAOYSA-N
XLogP3.67
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.52
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[4-[4-(cyclohexylcarbamoyl)piperazine-1-carbonyl]phenoxy]acetic acid
CID 136552724
N-cyclopentyl-4-(4-propylbenzoyl)-1,4-diazepane-1-carboxamide
CID 110813431
(4-cyclohexylpiperazin-1-yl)-(4-propoxyphenyl)methanone
CID 17249054
4-(4-acetamidobenzoyl)-N-cyclohexylpiperazine-1-carboxamide
CID 110812233
[4-(4-butoxybenzoyl)-1,4-diazepan-1-yl]-cyclobutylmethanone
CID 110809316
N-cyclohexyl-4-[(4-ethoxybenzoyl)amino]piperidine-1-carboxamide
CID 3676198
cyclopentyl-[4-(4-propoxybenzoyl)piperazin-1-yl]methanone
CID 110801609
[3-(methylamino)piperidin-1-yl]-(4-pentoxyphenyl)methanone
CID 119492407
(4-butoxyphenyl)-[4-(methylaminomethyl)piperidin-1-yl]methanone;hydrochloride
CID 119543778
4-butoxy-N-cyclobutylbenzamide
CID 71449411
(4-aminopiperidin-1-yl)-(4-pentoxyphenyl)methanone
CID 92922661
N-cyclohexyl-4-propoxybenzamide
CID 4938429

Frequently Asked Questions

What is the IUPAC name of 4-(4-butoxybenzoyl)-N-cyclohexylpiperazine-1-carboxamide?
The IUPAC name of 4-(4-butoxybenzoyl)-N-cyclohexylpiperazine-1-carboxamide (CID 55558062) is 4-(4-butoxybenzoyl)-N-cyclohexylpiperazine-1-carboxamide.
What is the SMILES notation for 4-(4-butoxybenzoyl)-N-cyclohexylpiperazine-1-carboxamide?
The canonical SMILES for 4-(4-butoxybenzoyl)-N-cyclohexylpiperazine-1-carboxamide is CCCCOc1ccc(C(=O)N2CCN(C(=O)NC3CCCCC3)CC2)cc1.
What is the InChIKey of 4-(4-butoxybenzoyl)-N-cyclohexylpiperazine-1-carboxamide?
The InChIKey is IENBBPZMGHCQHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H33N3O3/c1-2-3-17-28-20-11-9-18(10-12-20)21(26)24-13-15-25(16-14-24)22(27)23-19-7-5-4-6-8-19/h9-12,19H,2-8,13-17H2,1H3,(H,23,27).
What are the key properties of 4-(4-butoxybenzoyl)-N-cyclohexylpiperazine-1-carboxamide?
4-(4-butoxybenzoyl)-N-cyclohexylpiperazine-1-carboxamide has a molecular weight of 387.52 g/mol, XLogP of 3.67, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-butoxybenzoyl)-N-cyclohexylpiperazine-1-carboxamide is sourced from PubChem (CID 55558062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).