1-cyclohexyl-3-[1-(2-methoxybenzoyl)piperidin-4-yl]urea

C20H29N3O3 — CID 127232346

IUPAC1-cyclohexyl-3-[1-(2-methoxybenzoyl)piperidin-4-yl]urea
SMILESCOc1ccccc1C(=O)N1CCC(NC(=O)NC2CCCCC2)CC1
InChIInChI=1S/C20H29N3O3/c1-26-18-10-6-5-9-17(18)19(24)23-13-11-16(12-14-23)22-20(25)21-15-7-3-2-4-8-15/h5-6,9-10,15-16H,2-4,7-8,11-14H2,1H3,(H2,21,22,25)
InChIKeyOKSLJHDMECBJHR-UHFFFAOYSA-N
MW359.47 g/mol
LogP2.93
Rot. Bonds4

About 1-cyclohexyl-3-[1-(2-methoxybenzoyl)piperidin-4-yl]urea

1-cyclohexyl-3-[1-(2-methoxybenzoyl)piperidin-4-yl]urea (PubChem CID 127232346) has the molecular formula C20H29N3O3 and a molecular weight of 359.47 g/mol. Its IUPAC name is 1-cyclohexyl-3-[1-(2-methoxybenzoyl)piperidin-4-yl]urea.

Molecular Properties

Compound Name1-cyclohexyl-3-[1-(2-methoxybenzoyl)piperidin-4-yl]urea
PubChem CID127232346
Molecular FormulaC20H29N3O3
Molecular Weight359.47 g/mol
Exact Mass359.22
IUPAC Name1-cyclohexyl-3-[1-(2-methoxybenzoyl)piperidin-4-yl]urea
SMILESCOc1ccccc1C(=O)N1CCC(NC(=O)NC2CCCCC2)CC1
InChIInChI=1S/C20H29N3O3/c1-26-18-10-6-5-9-17(18)19(24)23-13-11-16(12-14-23)22-20(25)21-15-7-3-2-4-8-15/h5-6,9-10,15-16H,2-4,7-8,11-14H2,1H3,(H2,21,22,25)
InChIKeyOKSLJHDMECBJHR-UHFFFAOYSA-N
XLogP2.93
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.47
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(2-methoxybenzoyl)piperidin-4-yl]cyclohexanecarboxamide
CID 110820511
N-[1-(2-methoxybenzoyl)piperidin-4-yl]-2-(2-methoxyphenoxy)acetamide
CID 108556653
2-chloro-N-[1-(2-methoxybenzoyl)piperidin-4-yl]acetamide
CID 108563596
1-[1-(2-aminobenzoyl)piperidin-4-yl]-3-cyclohexylurea
CID 119944988
3,5-dimethoxy-N-[1-(2-methoxybenzoyl)piperidin-4-yl]benzamide
CID 108550564
(2-methoxyphenyl)-(4-methylpiperidin-1-yl)methanone
CID 5149560
methyl 1-(2-methoxybenzoyl)pyrrolidine-3-carboxylate
CID 84581536
N-[1-(2-methoxybenzoyl)piperidin-4-yl]thiophene-2-carboxamide
CID 110820518
(4-cyclopentylpiperazin-1-yl)-(2-methoxyphenyl)methanone
CID 796432
2-methoxy-N-[1-(naphthalene-1-carbonyl)piperidin-4-yl]benzamide
CID 108549225
N-cycloheptyl-2-(2-methoxyphenyl)-2-oxoacetamide
CID 94283969
2,6-dimethoxy-N-[1-(2-sulfanylbenzoyl)piperidin-4-yl]benzamide
CID 108549795

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-[1-(2-methoxybenzoyl)piperidin-4-yl]urea?
The IUPAC name of 1-cyclohexyl-3-[1-(2-methoxybenzoyl)piperidin-4-yl]urea (CID 127232346) is 1-cyclohexyl-3-[1-(2-methoxybenzoyl)piperidin-4-yl]urea.
What is the SMILES notation for 1-cyclohexyl-3-[1-(2-methoxybenzoyl)piperidin-4-yl]urea?
The canonical SMILES for 1-cyclohexyl-3-[1-(2-methoxybenzoyl)piperidin-4-yl]urea is COc1ccccc1C(=O)N1CCC(NC(=O)NC2CCCCC2)CC1.
What is the InChIKey of 1-cyclohexyl-3-[1-(2-methoxybenzoyl)piperidin-4-yl]urea?
The InChIKey is OKSLJHDMECBJHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O3/c1-26-18-10-6-5-9-17(18)19(24)23-13-11-16(12-14-23)22-20(25)21-15-7-3-2-4-8-15/h5-6,9-10,15-16H,2-4,7-8,11-14H2,1H3,(H2,21,22,25).
What are the key properties of 1-cyclohexyl-3-[1-(2-methoxybenzoyl)piperidin-4-yl]urea?
1-cyclohexyl-3-[1-(2-methoxybenzoyl)piperidin-4-yl]urea has a molecular weight of 359.47 g/mol, XLogP of 2.93, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-[1-(2-methoxybenzoyl)piperidin-4-yl]urea is sourced from PubChem (CID 127232346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).