4-(4-methylpiperazine-1-carbonyl)-N-(4-propan-2-yloxyphenyl)cyclohexane-1-carboxamide

C22H33N3O3 — CID 109147452

IUPAC4-(4-methylpiperazine-1-carbonyl)-N-(4-propan-2-yloxyphenyl)cyclohexane-1-carboxamide
SMILESCC(C)Oc1ccc(NC(=O)C2CCC(C(=O)N3CCN(C)CC3)CC2)cc1
InChIInChI=1S/C22H33N3O3/c1-16(2)28-20-10-8-19(9-11-20)23-21(26)17-4-6-18(7-5-17)22(27)25-14-12-24(3)13-15-25/h8-11,16-18H,4-7,12-15H2,1-3H3,(H,23,26)
InChIKeyINRURNJAQKPJOV-UHFFFAOYSA-N
MW387.52 g/mol
LogP2.99
Rot. Bonds5

About 4-(4-methylpiperazine-1-carbonyl)-N-(4-propan-2-yloxyphenyl)cyclohexane-1-carboxamide

4-(4-methylpiperazine-1-carbonyl)-N-(4-propan-2-yloxyphenyl)cyclohexane-1-carboxamide (PubChem CID 109147452) has the molecular formula C22H33N3O3 and a molecular weight of 387.52 g/mol. Its IUPAC name is 4-(4-methylpiperazine-1-carbonyl)-N-(4-propan-2-yloxyphenyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-(4-methylpiperazine-1-carbonyl)-N-(4-propan-2-yloxyphenyl)cyclohexane-1-carboxamide
PubChem CID109147452
Molecular FormulaC22H33N3O3
Molecular Weight387.52 g/mol
Exact Mass387.25
IUPAC Name4-(4-methylpiperazine-1-carbonyl)-N-(4-propan-2-yloxyphenyl)cyclohexane-1-carboxamide
SMILESCC(C)Oc1ccc(NC(=O)C2CCC(C(=O)N3CCN(C)CC3)CC2)cc1
InChIInChI=1S/C22H33N3O3/c1-16(2)28-20-10-8-19(9-11-20)23-21(26)17-4-6-18(7-5-17)22(27)25-14-12-24(3)13-15-25/h8-11,16-18H,4-7,12-15H2,1-3H3,(H,23,26)
InChIKeyINRURNJAQKPJOV-UHFFFAOYSA-N
XLogP2.99
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.52
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(cyclopropanecarbonyl)-N-(4-propan-2-yloxyphenyl)piperidine-4-carboxamide
CID 47044071
methyl 4-[[4-(4-methylpiperazine-1-carbonyl)cyclohexanecarbonyl]amino]benzoate
CID 109147465
N-(4-methoxyphenyl)-4-(pyrrolidine-1-carbonyl)cyclohexane-1-carboxamide
CID 109145697
1-benzoyl-N-(4-propan-2-yloxyphenyl)piperidine-4-carboxamide
CID 110298361
2-(piperidine-1-carbonyl)-N-(4-propan-2-yloxyphenyl)cyclopropane-1-carboxamide
CID 109132303
N-(3-chloro-4-methylphenyl)-4-(4-methylpiperazine-1-carbonyl)cyclohexane-1-carboxamide
CID 109147440
1-(4-methylpiperazin-1-yl)-2-(4-propan-2-yloxyanilino)ethanone
CID 28969825
4-N-(2-fluorophenyl)-1-N-(4-propan-2-yloxyphenyl)cyclohexane-1,4-dicarboxamide
CID 109150875
1-(cyclobutanecarbonyl)-N-(4-methoxyphenyl)piperidine-4-carboxamide
CID 113007524
N-(4-propan-2-yloxyphenyl)-1-(2,2,2-trifluoroacetyl)piperidine-3-carboxamide
CID 110344310
N-[2-(cyclopropanecarbonyl)-3,4-dihydro-1H-isoquinolin-7-yl]-4-propan-2-yloxybenzamide
CID 16943470
4-(4-acetylpiperazine-1-carbonyl)-N-phenylcyclohexane-1-carboxamide
CID 109147706

Frequently Asked Questions

What is the IUPAC name of 4-(4-methylpiperazine-1-carbonyl)-N-(4-propan-2-yloxyphenyl)cyclohexane-1-carboxamide?
The IUPAC name of 4-(4-methylpiperazine-1-carbonyl)-N-(4-propan-2-yloxyphenyl)cyclohexane-1-carboxamide (CID 109147452) is 4-(4-methylpiperazine-1-carbonyl)-N-(4-propan-2-yloxyphenyl)cyclohexane-1-carboxamide.
What is the SMILES notation for 4-(4-methylpiperazine-1-carbonyl)-N-(4-propan-2-yloxyphenyl)cyclohexane-1-carboxamide?
The canonical SMILES for 4-(4-methylpiperazine-1-carbonyl)-N-(4-propan-2-yloxyphenyl)cyclohexane-1-carboxamide is CC(C)Oc1ccc(NC(=O)C2CCC(C(=O)N3CCN(C)CC3)CC2)cc1.
What is the InChIKey of 4-(4-methylpiperazine-1-carbonyl)-N-(4-propan-2-yloxyphenyl)cyclohexane-1-carboxamide?
The InChIKey is INRURNJAQKPJOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H33N3O3/c1-16(2)28-20-10-8-19(9-11-20)23-21(26)17-4-6-18(7-5-17)22(27)25-14-12-24(3)13-15-25/h8-11,16-18H,4-7,12-15H2,1-3H3,(H,23,26).
What are the key properties of 4-(4-methylpiperazine-1-carbonyl)-N-(4-propan-2-yloxyphenyl)cyclohexane-1-carboxamide?
4-(4-methylpiperazine-1-carbonyl)-N-(4-propan-2-yloxyphenyl)cyclohexane-1-carboxamide has a molecular weight of 387.52 g/mol, XLogP of 2.99, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylpiperazine-1-carbonyl)-N-(4-propan-2-yloxyphenyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 109147452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).