1-[1-(4-chlorobenzoyl)piperidin-4-yl]-3-propan-2-ylurea

C16H22ClN3O2 — CID 110821055

IUPAC1-[1-(4-chlorobenzoyl)piperidin-4-yl]-3-propan-2-ylurea
SMILESCC(C)NC(=O)NC1CCN(C(=O)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C16H22ClN3O2/c1-11(2)18-16(22)19-14-7-9-20(10-8-14)15(21)12-3-5-13(17)6-4-12/h3-6,11,14H,7-10H2,1-2H3,(H2,18,19,22)
InChIKeyWJEIJGSBFHCHSE-UHFFFAOYSA-N
MW323.82 g/mol
LogP2.65
Rot. Bonds3

About 1-[1-(4-chlorobenzoyl)piperidin-4-yl]-3-propan-2-ylurea

1-[1-(4-chlorobenzoyl)piperidin-4-yl]-3-propan-2-ylurea (PubChem CID 110821055) has the molecular formula C16H22ClN3O2 and a molecular weight of 323.82 g/mol. Its IUPAC name is 1-[1-(4-chlorobenzoyl)piperidin-4-yl]-3-propan-2-ylurea.

Molecular Properties

Compound Name1-[1-(4-chlorobenzoyl)piperidin-4-yl]-3-propan-2-ylurea
PubChem CID110821055
Molecular FormulaC16H22ClN3O2
Molecular Weight323.82 g/mol
Exact Mass323.14
IUPAC Name1-[1-(4-chlorobenzoyl)piperidin-4-yl]-3-propan-2-ylurea
SMILESCC(C)NC(=O)NC1CCN(C(=O)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C16H22ClN3O2/c1-11(2)18-16(22)19-14-7-9-20(10-8-14)15(21)12-3-5-13(17)6-4-12/h3-6,11,14H,7-10H2,1-2H3,(H2,18,19,22)
InChIKeyWJEIJGSBFHCHSE-UHFFFAOYSA-N
XLogP2.65
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.82
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

[1-(4-chlorobenzoyl)piperidin-4-yl]carbamic acid
CID 154188443
(4-chlorophenyl)-[4-(methylamino)piperidin-1-yl]methanone
CID 83728657
1-[(3R)-1-(4-fluorobenzoyl)pyrrolidin-3-yl]-3-propan-2-ylurea
CID 95051733
1-(1-benzoylpyrrolidin-3-yl)-3-propan-2-ylurea
CID 53016498
1-(4-chlorobenzoyl)-N-cyclopropylpiperidine-4-carboxamide
CID 1072789
2-[4-(4-chlorobenzoyl)piperazin-1-yl]-2-cyclopentyl-N-propan-2-ylacetamide
CID 42842473
N-[1-(4-chlorobenzoyl)piperidin-4-yl]-2-(4-hydroxyphenoxy)propanamide
CID 108551143
N-[1-(4-propan-2-ylbenzoyl)piperidin-4-yl]acetamide
CID 49348928
4-chloro-N-[1-(2-methylpropanoyl)piperidin-4-yl]benzamide
CID 32542302
4-[4-(cyclohexylcarbamoylamino)piperidine-1-carbonyl]benzoic acid
CID 119182459
2-acetamido-N-[1-(4-chlorobenzoyl)piperidin-4-yl]-3-(4-propan-2-ylphenyl)propanamide
CID 3227027
3-chloro-N-[1-(4-chlorobenzoyl)piperidin-4-yl]benzamide
CID 108550681

Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-chlorobenzoyl)piperidin-4-yl]-3-propan-2-ylurea?
The IUPAC name of 1-[1-(4-chlorobenzoyl)piperidin-4-yl]-3-propan-2-ylurea (CID 110821055) is 1-[1-(4-chlorobenzoyl)piperidin-4-yl]-3-propan-2-ylurea.
What is the SMILES notation for 1-[1-(4-chlorobenzoyl)piperidin-4-yl]-3-propan-2-ylurea?
The canonical SMILES for 1-[1-(4-chlorobenzoyl)piperidin-4-yl]-3-propan-2-ylurea is CC(C)NC(=O)NC1CCN(C(=O)c2ccc(Cl)cc2)CC1.
What is the InChIKey of 1-[1-(4-chlorobenzoyl)piperidin-4-yl]-3-propan-2-ylurea?
The InChIKey is WJEIJGSBFHCHSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClN3O2/c1-11(2)18-16(22)19-14-7-9-20(10-8-14)15(21)12-3-5-13(17)6-4-12/h3-6,11,14H,7-10H2,1-2H3,(H2,18,19,22).
What are the key properties of 1-[1-(4-chlorobenzoyl)piperidin-4-yl]-3-propan-2-ylurea?
1-[1-(4-chlorobenzoyl)piperidin-4-yl]-3-propan-2-ylurea has a molecular weight of 323.82 g/mol, XLogP of 2.65, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-chlorobenzoyl)piperidin-4-yl]-3-propan-2-ylurea is sourced from PubChem (CID 110821055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).