1-(4-methylphenyl)-3-(1-propan-2-ylpiperidin-4-yl)urea

C16H25N3O — CID 17423192

IUPAC1-(4-methylphenyl)-3-(1-propan-2-ylpiperidin-4-yl)urea
SMILESCc1ccc(NC(=O)NC2CCN(C(C)C)CC2)cc1
InChIInChI=1S/C16H25N3O/c1-12(2)19-10-8-15(9-11-19)18-16(20)17-14-6-4-13(3)5-7-14/h4-7,12,15H,8-11H2,1-3H3,(H2,17,18,20)
InChIKeyKYTPXZAANQQGDH-UHFFFAOYSA-N
MW275.40 g/mol
LogP2.99
Rot. Bonds3

About 1-(4-methylphenyl)-3-(1-propan-2-ylpiperidin-4-yl)urea

1-(4-methylphenyl)-3-(1-propan-2-ylpiperidin-4-yl)urea (PubChem CID 17423192) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is 1-(4-methylphenyl)-3-(1-propan-2-ylpiperidin-4-yl)urea.

Molecular Properties

Compound Name1-(4-methylphenyl)-3-(1-propan-2-ylpiperidin-4-yl)urea
PubChem CID17423192
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC Name1-(4-methylphenyl)-3-(1-propan-2-ylpiperidin-4-yl)urea
SMILESCc1ccc(NC(=O)NC2CCN(C(C)C)CC2)cc1
InChIInChI=1S/C16H25N3O/c1-12(2)19-10-8-15(9-11-19)18-16(20)17-14-6-4-13(3)5-7-14/h4-7,12,15H,8-11H2,1-3H3,(H2,17,18,20)
InChIKeyKYTPXZAANQQGDH-UHFFFAOYSA-N
XLogP2.99
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-chloro-4-methylphenyl)-3-(1-propan-2-ylpiperidin-4-yl)urea
CID 24528836
1-(1-cyclopropylpiperidin-4-yl)-3-(4-methylphenyl)urea
CID 17457458
4-methyl-N-(1-propan-2-ylpiperidin-4-yl)benzamide
CID 25236563
1-(4-methylphenyl)-3-[(1S,5S)-9-propan-2-yl-9-azabicyclo[3.3.1]nonan-3-yl]urea
CID 50903525
1-(4-hydroxycyclohexyl)-3-(4-methylphenyl)urea
CID 17412691
1-(2,3-dimethylphenyl)-3-(1-propan-2-ylpiperidin-4-yl)urea
CID 6470893
1-(4-methylphenyl)-3-[(1-propan-2-ylpyrrolidin-3-yl)methyl]urea
CID 47455465
N-[4-[4-[(4-methylphenyl)carbamoylamino]piperidin-1-yl]sulfonylphenyl]acetamide
CID 24612546
1-[4-[1-(methylamino)ethyl]phenyl]-3-(1-methylpiperidin-4-yl)urea
CID 61340940
1-(3-aminocyclobutyl)-3-(4-methylphenyl)urea
CID 43596708
1-[4-(butan-2-ylamino)phenyl]-3-cyclopropylurea
CID 112980511
1-(4-iodophenyl)-3-(1-methylpiperidin-4-yl)urea
CID 47133004

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)-3-(1-propan-2-ylpiperidin-4-yl)urea?
The IUPAC name of 1-(4-methylphenyl)-3-(1-propan-2-ylpiperidin-4-yl)urea (CID 17423192) is 1-(4-methylphenyl)-3-(1-propan-2-ylpiperidin-4-yl)urea.
What is the SMILES notation for 1-(4-methylphenyl)-3-(1-propan-2-ylpiperidin-4-yl)urea?
The canonical SMILES for 1-(4-methylphenyl)-3-(1-propan-2-ylpiperidin-4-yl)urea is Cc1ccc(NC(=O)NC2CCN(C(C)C)CC2)cc1.
What is the InChIKey of 1-(4-methylphenyl)-3-(1-propan-2-ylpiperidin-4-yl)urea?
The InChIKey is KYTPXZAANQQGDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O/c1-12(2)19-10-8-15(9-11-19)18-16(20)17-14-6-4-13(3)5-7-14/h4-7,12,15H,8-11H2,1-3H3,(H2,17,18,20).
What are the key properties of 1-(4-methylphenyl)-3-(1-propan-2-ylpiperidin-4-yl)urea?
1-(4-methylphenyl)-3-(1-propan-2-ylpiperidin-4-yl)urea has a molecular weight of 275.40 g/mol, XLogP of 2.99, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)-3-(1-propan-2-ylpiperidin-4-yl)urea is sourced from PubChem (CID 17423192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).