N-tert-butyl-4-(4-cyclohexylbenzoyl)piperazine-1-carboxamide

C22H33N3O2 — CID 110812367

IUPACN-tert-butyl-4-(4-cyclohexylbenzoyl)piperazine-1-carboxamide
SMILESCC(C)(C)NC(=O)N1CCN(C(=O)c2ccc(C3CCCCC3)cc2)CC1
InChIInChI=1S/C22H33N3O2/c1-22(2,3)23-21(27)25-15-13-24(14-16-25)20(26)19-11-9-18(10-12-19)17-7-5-4-6-8-17/h9-12,17H,4-8,13-16H2,1-3H3,(H,23,27)
InChIKeyZHWACROTPXAEQC-UHFFFAOYSA-N
MW371.53 g/mol
LogP4.00
Rot. Bonds2

About N-tert-butyl-4-(4-cyclohexylbenzoyl)piperazine-1-carboxamide

N-tert-butyl-4-(4-cyclohexylbenzoyl)piperazine-1-carboxamide (PubChem CID 110812367) has the molecular formula C22H33N3O2 and a molecular weight of 371.53 g/mol. Its IUPAC name is N-tert-butyl-4-(4-cyclohexylbenzoyl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-4-(4-cyclohexylbenzoyl)piperazine-1-carboxamide
PubChem CID110812367
Molecular FormulaC22H33N3O2
Molecular Weight371.53 g/mol
Exact Mass371.26
IUPAC NameN-tert-butyl-4-(4-cyclohexylbenzoyl)piperazine-1-carboxamide
SMILESCC(C)(C)NC(=O)N1CCN(C(=O)c2ccc(C3CCCCC3)cc2)CC1
InChIInChI=1S/C22H33N3O2/c1-22(2,3)23-21(27)25-15-13-24(14-16-25)20(26)19-11-9-18(10-12-19)17-7-5-4-6-8-17/h9-12,17H,4-8,13-16H2,1-3H3,(H,23,27)
InChIKeyZHWACROTPXAEQC-UHFFFAOYSA-N
XLogP4.00
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.53
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-(4-cyclohexylbenzoyl)piperazin-1-yl]ethanone
CID 110761379
(4-cyclohexylphenyl)-pyrrolidin-1-ylmethanone
CID 78791688
4-(4-acetamidobenzoyl)-N-tert-butyl-1,4-diazepane-1-carboxamide
CID 110813341
(4-aminopiperidin-1-yl)-(4-cyclohexylphenyl)methanone;hydrochloride
CID 119372876
(4-cyclohexylphenyl)-(3-methylpyrrolidin-1-yl)methanone
CID 86877330
N-tert-butyl-3-(4-methoxyphenyl)azepane-1-carboxamide
CID 121147168
(4-cyclohexylphenyl)-[3-(methylamino)piperidin-1-yl]methanone
CID 119487583
4-(azepane-1-carbonyl)-N-tert-butylbenzamide
CID 48845413
N-tert-butyl-4-(3,4-dichlorobenzoyl)-1,4-diazepane-1-carboxamide
CID 110811531
2-[4-(4-cyclohexylbenzoyl)piperazin-1-yl]-N-propylacetamide
CID 134014588
N-tert-butyl-4-(1-methylpyrrole-3-carbonyl)-1,4-diazepane-1-carboxamide
CID 110813577
4-cyclohexyl-N-[4-(pyrrolidine-1-carbonyl)phenyl]benzenesulfonamide
CID 24656637

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-4-(4-cyclohexylbenzoyl)piperazine-1-carboxamide?
The IUPAC name of N-tert-butyl-4-(4-cyclohexylbenzoyl)piperazine-1-carboxamide (CID 110812367) is N-tert-butyl-4-(4-cyclohexylbenzoyl)piperazine-1-carboxamide.
What is the SMILES notation for N-tert-butyl-4-(4-cyclohexylbenzoyl)piperazine-1-carboxamide?
The canonical SMILES for N-tert-butyl-4-(4-cyclohexylbenzoyl)piperazine-1-carboxamide is CC(C)(C)NC(=O)N1CCN(C(=O)c2ccc(C3CCCCC3)cc2)CC1.
What is the InChIKey of N-tert-butyl-4-(4-cyclohexylbenzoyl)piperazine-1-carboxamide?
The InChIKey is ZHWACROTPXAEQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H33N3O2/c1-22(2,3)23-21(27)25-15-13-24(14-16-25)20(26)19-11-9-18(10-12-19)17-7-5-4-6-8-17/h9-12,17H,4-8,13-16H2,1-3H3,(H,23,27).
What are the key properties of N-tert-butyl-4-(4-cyclohexylbenzoyl)piperazine-1-carboxamide?
N-tert-butyl-4-(4-cyclohexylbenzoyl)piperazine-1-carboxamide has a molecular weight of 371.53 g/mol, XLogP of 4.00, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-4-(4-cyclohexylbenzoyl)piperazine-1-carboxamide is sourced from PubChem (CID 110812367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).