1-[1-[4-(4-chlorophenyl)piperidin-1-yl]-3-methyl-1-oxobutan-2-yl]-3-cyclopentylurea

C22H32ClN3O2 — CID 67300127

IUPAC1-[1-[4-(4-chlorophenyl)piperidin-1-yl]-3-methyl-1-oxobutan-2-yl]-3-cyclopentylurea
SMILESCC(C)C(NC(=O)NC1CCCC1)C(=O)N1CCC(c2ccc(Cl)cc2)CC1
InChIInChI=1S/C22H32ClN3O2/c1-15(2)20(25-22(28)24-19-5-3-4-6-19)21(27)26-13-11-17(12-14-26)16-7-9-18(23)10-8-16/h7-10,15,17,19-20H,3-6,11-14H2,1-2H3,(H2,24,25,28)
InChIKeyMGJNMIWBUIOTAZ-UHFFFAOYSA-N
MW405.97 g/mol
LogP4.31
Rot. Bonds5

About 1-[1-[4-(4-chlorophenyl)piperidin-1-yl]-3-methyl-1-oxobutan-2-yl]-3-cyclopentylurea

1-[1-[4-(4-chlorophenyl)piperidin-1-yl]-3-methyl-1-oxobutan-2-yl]-3-cyclopentylurea (PubChem CID 67300127) has the molecular formula C22H32ClN3O2 and a molecular weight of 405.97 g/mol. Its IUPAC name is 1-[1-[4-(4-chlorophenyl)piperidin-1-yl]-3-methyl-1-oxobutan-2-yl]-3-cyclopentylurea.

Molecular Properties

Compound Name1-[1-[4-(4-chlorophenyl)piperidin-1-yl]-3-methyl-1-oxobutan-2-yl]-3-cyclopentylurea
PubChem CID67300127
Molecular FormulaC22H32ClN3O2
Molecular Weight405.97 g/mol
Exact Mass405.22
IUPAC Name1-[1-[4-(4-chlorophenyl)piperidin-1-yl]-3-methyl-1-oxobutan-2-yl]-3-cyclopentylurea
SMILESCC(C)C(NC(=O)NC1CCCC1)C(=O)N1CCC(c2ccc(Cl)cc2)CC1
InChIInChI=1S/C22H32ClN3O2/c1-15(2)20(25-22(28)24-19-5-3-4-6-19)21(27)26-13-11-17(12-14-26)16-7-9-18(23)10-8-16/h7-10,15,17,19-20H,3-6,11-14H2,1-2H3,(H2,24,25,28)
InChIKeyMGJNMIWBUIOTAZ-UHFFFAOYSA-N
XLogP4.31
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.97
LogP ≤ 54.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-[4-(4-chlorophenyl)piperidin-1-yl]-3-methyl-1-oxobutan-2-yl]cyclopentanecarboxamide
CID 24759076
N-[1-[4-(4-chlorophenyl)piperidin-1-yl]-3-methyl-1-oxobutan-2-yl]cyclohexanecarboxamide
CID 24759417
N-[(2R)-1-[4-(4-chlorophenyl)piperidin-1-yl]-3-methyl-1-oxobutan-2-yl]-2-cyclohexylacetamide
CID 24758295
N-[1-[4-(4-chlorophenyl)piperidin-1-yl]-3-methyl-1-oxobutan-2-yl]pyridine-4-carboxamide
CID 24759741
N-[(2R)-1-[4-(4-chlorophenyl)piperidin-1-yl]-3-methyl-1-oxobutan-2-yl]-2,4,6-trimethylbenzamide;methane
CID 158727235
1-[1-[4-(4-chlorophenyl)piperidin-1-yl]-3-methyl-1-oxobutan-2-yl]-3-(2-phenylethyl)urea
CID 67299403
N-[1-[4-(4-chlorophenyl)piperidin-1-yl]-3-methyl-1-oxobutan-2-yl]-2-ethylbenzamide
CID 24759416
N-[(2R)-1-[4-(4-chlorophenyl)piperidin-1-yl]-3-methyl-1-oxobutan-2-yl]-4,4,4-trifluoro-3-methylbutanamide;methane
CID 159768798
N-[1-[4-(4-chlorophenyl)piperidin-1-yl]-3-methyl-1-oxobutan-2-yl]-2-(4-phenylphenyl)acetamide
CID 67299469
(2R)-2-[[(R)-(benzylamino)-hydroxymethyl]amino]-1-[4-(4-chlorophenyl)piperidin-1-yl]-3-methylbutan-1-one
CID 122500263
[2-[2-[[(2R)-1-[4-(4-chlorophenyl)piperidin-1-yl]-3-methyl-1-oxobutan-2-yl]amino]-2-oxoethyl]phenyl] hypoiodite
CID 163737853
N-[(2R)-1-[4-(4-chlorophenyl)piperidin-1-yl]-3-methyl-1-oxobutan-2-yl]-3-(2-methylphenyl)propanamide
CID 24758299

Frequently Asked Questions

What is the IUPAC name of 1-[1-[4-(4-chlorophenyl)piperidin-1-yl]-3-methyl-1-oxobutan-2-yl]-3-cyclopentylurea?
The IUPAC name of 1-[1-[4-(4-chlorophenyl)piperidin-1-yl]-3-methyl-1-oxobutan-2-yl]-3-cyclopentylurea (CID 67300127) is 1-[1-[4-(4-chlorophenyl)piperidin-1-yl]-3-methyl-1-oxobutan-2-yl]-3-cyclopentylurea.
What is the SMILES notation for 1-[1-[4-(4-chlorophenyl)piperidin-1-yl]-3-methyl-1-oxobutan-2-yl]-3-cyclopentylurea?
The canonical SMILES for 1-[1-[4-(4-chlorophenyl)piperidin-1-yl]-3-methyl-1-oxobutan-2-yl]-3-cyclopentylurea is CC(C)C(NC(=O)NC1CCCC1)C(=O)N1CCC(c2ccc(Cl)cc2)CC1.
What is the InChIKey of 1-[1-[4-(4-chlorophenyl)piperidin-1-yl]-3-methyl-1-oxobutan-2-yl]-3-cyclopentylurea?
The InChIKey is MGJNMIWBUIOTAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32ClN3O2/c1-15(2)20(25-22(28)24-19-5-3-4-6-19)21(27)26-13-11-17(12-14-26)16-7-9-18(23)10-8-16/h7-10,15,17,19-20H,3-6,11-14H2,1-2H3,(H2,24,25,28).
What are the key properties of 1-[1-[4-(4-chlorophenyl)piperidin-1-yl]-3-methyl-1-oxobutan-2-yl]-3-cyclopentylurea?
1-[1-[4-(4-chlorophenyl)piperidin-1-yl]-3-methyl-1-oxobutan-2-yl]-3-cyclopentylurea has a molecular weight of 405.97 g/mol, XLogP of 4.31, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[4-(4-chlorophenyl)piperidin-1-yl]-3-methyl-1-oxobutan-2-yl]-3-cyclopentylurea is sourced from PubChem (CID 67300127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).