1-(1-cyclopropylpiperidin-4-yl)-3-(4-methylphenyl)urea

C16H23N3O — CID 17457458

IUPAC1-(1-cyclopropylpiperidin-4-yl)-3-(4-methylphenyl)urea
SMILESCc1ccc(NC(=O)NC2CCN(C3CC3)CC2)cc1
InChIInChI=1S/C16H23N3O/c1-12-2-4-13(5-3-12)17-16(20)18-14-8-10-19(11-9-14)15-6-7-15/h2-5,14-15H,6-11H2,1H3,(H2,17,18,20)
InChIKeyRKWDQWHDXOPMSK-UHFFFAOYSA-N
MW273.38 g/mol
LogP2.74
Rot. Bonds3

About 1-(1-cyclopropylpiperidin-4-yl)-3-(4-methylphenyl)urea

1-(1-cyclopropylpiperidin-4-yl)-3-(4-methylphenyl)urea (PubChem CID 17457458) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is 1-(1-cyclopropylpiperidin-4-yl)-3-(4-methylphenyl)urea.

Molecular Properties

Compound Name1-(1-cyclopropylpiperidin-4-yl)-3-(4-methylphenyl)urea
PubChem CID17457458
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC Name1-(1-cyclopropylpiperidin-4-yl)-3-(4-methylphenyl)urea
SMILESCc1ccc(NC(=O)NC2CCN(C3CC3)CC2)cc1
InChIInChI=1S/C16H23N3O/c1-12-2-4-13(5-3-12)17-16(20)18-14-8-10-19(11-9-14)15-6-7-15/h2-5,14-15H,6-11H2,1H3,(H2,17,18,20)
InChIKeyRKWDQWHDXOPMSK-UHFFFAOYSA-N
XLogP2.74
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-methylphenyl)-3-(1-propan-2-ylpiperidin-4-yl)urea
CID 17423192
1-(4-hydroxycyclohexyl)-3-(4-methylphenyl)urea
CID 17412691
1-(4-chlorophenyl)-3-[1-(oxan-4-yl)piperidin-4-yl]urea
CID 94862524
1-(1-cyclopropylpyrrolidin-3-yl)-3-phenylurea
CID 47816038
4-cyclopropyl-N-(4-methylphenyl)piperazine-1-carboxamide
CID 47455397
1-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]-3-(6-methyl-3-pyridinyl)urea
CID 86803583
N-[4-[4-[(4-methylphenyl)carbamoylamino]piperidin-1-yl]sulfonylphenyl]acetamide
CID 24612546
1-(4-fluoro-3-methylphenyl)-3-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]urea
CID 99581606
2-amino-N-(1-cyclopropylpiperidin-4-yl)-2-(4-methylphenyl)acetamide
CID 106151639
2-amino-N-(1-cyclopropylpiperidin-4-yl)-2-(4-methylphenyl)acetamide;dihydrochloride
CID 120669508
1-(1-cyclopropylpiperidin-4-yl)-3-(2,6-difluorophenyl)urea
CID 86986878
1-(1-cyclopropylpiperidin-4-yl)-3-(5-methyl-1,2-oxazol-3-yl)urea
CID 18144085

Frequently Asked Questions

What is the IUPAC name of 1-(1-cyclopropylpiperidin-4-yl)-3-(4-methylphenyl)urea?
The IUPAC name of 1-(1-cyclopropylpiperidin-4-yl)-3-(4-methylphenyl)urea (CID 17457458) is 1-(1-cyclopropylpiperidin-4-yl)-3-(4-methylphenyl)urea.
What is the SMILES notation for 1-(1-cyclopropylpiperidin-4-yl)-3-(4-methylphenyl)urea?
The canonical SMILES for 1-(1-cyclopropylpiperidin-4-yl)-3-(4-methylphenyl)urea is Cc1ccc(NC(=O)NC2CCN(C3CC3)CC2)cc1.
What is the InChIKey of 1-(1-cyclopropylpiperidin-4-yl)-3-(4-methylphenyl)urea?
The InChIKey is RKWDQWHDXOPMSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O/c1-12-2-4-13(5-3-12)17-16(20)18-14-8-10-19(11-9-14)15-6-7-15/h2-5,14-15H,6-11H2,1H3,(H2,17,18,20).
What are the key properties of 1-(1-cyclopropylpiperidin-4-yl)-3-(4-methylphenyl)urea?
1-(1-cyclopropylpiperidin-4-yl)-3-(4-methylphenyl)urea has a molecular weight of 273.38 g/mol, XLogP of 2.74, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-cyclopropylpiperidin-4-yl)-3-(4-methylphenyl)urea is sourced from PubChem (CID 17457458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).