4-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-N-propylcyclohexane-1-carboxamide

C22H33N3O3 — CID 109144318

IUPAC4-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-N-propylcyclohexane-1-carboxamide
SMILESCCCNC(=O)C1CCC(C(=O)N2CCN(c3ccccc3OC)CC2)CC1
InChIInChI=1S/C22H33N3O3/c1-3-12-23-21(26)17-8-10-18(11-9-17)22(27)25-15-13-24(14-16-25)19-6-4-5-7-20(19)28-2/h4-7,17-18H,3,8-16H2,1-2H3,(H,23,26)
InChIKeyZQYDTFUBTSMSFV-UHFFFAOYSA-N
MW387.52 g/mol
LogP2.68
Rot. Bonds6

About 4-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-N-propylcyclohexane-1-carboxamide

4-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-N-propylcyclohexane-1-carboxamide (PubChem CID 109144318) has the molecular formula C22H33N3O3 and a molecular weight of 387.52 g/mol. Its IUPAC name is 4-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-N-propylcyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-N-propylcyclohexane-1-carboxamide
PubChem CID109144318
Molecular FormulaC22H33N3O3
Molecular Weight387.52 g/mol
Exact Mass387.25
IUPAC Name4-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-N-propylcyclohexane-1-carboxamide
SMILESCCCNC(=O)C1CCC(C(=O)N2CCN(c3ccccc3OC)CC2)CC1
InChIInChI=1S/C22H33N3O3/c1-3-12-23-21(26)17-8-10-18(11-9-17)22(27)25-15-13-24(14-16-25)19-6-4-5-7-20(19)28-2/h4-7,17-18H,3,8-16H2,1-2H3,(H,23,26)
InChIKeyZQYDTFUBTSMSFV-UHFFFAOYSA-N
XLogP2.68
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.52
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

cyclopentyl-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 4084330
tert-butyl 4-[4-(2-methoxyphenyl)piperazine-1-carbonyl]piperidine-1-carboxylate
CID 9034002
N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]cyclopentanecarboxamide
CID 10451105
4-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-N,N-dimethylpiperidine-1-carboxamide
CID 56922329
1-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-N-propylcyclopropane-1-carboxamide
CID 108970253
N-butyl-4-(2-methoxyphenyl)piperazine-1-carboxamide
CID 6468080
4-N-(2-methoxyphenyl)-1-N-propylcyclohexane-1,4-dicarboxamide
CID 109144383
4-(4-ethylpiperazine-1-carbonyl)-N-[(2-methoxyphenyl)methyl]cyclohexane-1-carboxamide
CID 109147502
4-(2-methoxyphenyl)-N-pentylpiperazine-1-carboxamide
CID 41353621
5-[4-(2-methoxyphenyl)piperazin-1-yl]-3-methyl-5-oxo-N-propylpentanamide
CID 4637829
1-[4-(2-methoxyphenyl)piperazin-1-yl]-3-pyrrolidin-1-ylpropane-1,3-dione
CID 108941985
2-[[ethylamino-[4-(2-methoxyphenyl)piperazin-1-yl]methylidene]amino]-N-propylacetamide;hydroiodide
CID 111133838

Frequently Asked Questions

What is the IUPAC name of 4-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-N-propylcyclohexane-1-carboxamide?
The IUPAC name of 4-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-N-propylcyclohexane-1-carboxamide (CID 109144318) is 4-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-N-propylcyclohexane-1-carboxamide.
What is the SMILES notation for 4-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-N-propylcyclohexane-1-carboxamide?
The canonical SMILES for 4-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-N-propylcyclohexane-1-carboxamide is CCCNC(=O)C1CCC(C(=O)N2CCN(c3ccccc3OC)CC2)CC1.
What is the InChIKey of 4-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-N-propylcyclohexane-1-carboxamide?
The InChIKey is ZQYDTFUBTSMSFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H33N3O3/c1-3-12-23-21(26)17-8-10-18(11-9-17)22(27)25-15-13-24(14-16-25)19-6-4-5-7-20(19)28-2/h4-7,17-18H,3,8-16H2,1-2H3,(H,23,26).
What are the key properties of 4-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-N-propylcyclohexane-1-carboxamide?
4-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-N-propylcyclohexane-1-carboxamide has a molecular weight of 387.52 g/mol, XLogP of 2.68, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-N-propylcyclohexane-1-carboxamide is sourced from PubChem (CID 109144318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).