1-cyclobutyl-3-[(1-phenylpiperidin-4-yl)methyl]urea

C17H25N3O — CID 141180797

IUPAC1-cyclobutyl-3-[(1-phenylpiperidin-4-yl)methyl]urea
SMILESO=C(NCC1CCN(c2ccccc2)CC1)NC1CCC1
InChIInChI=1S/C17H25N3O/c21-17(19-15-5-4-6-15)18-13-14-9-11-20(12-10-14)16-7-2-1-3-8-16/h1-3,7-8,14-15H,4-6,9-13H2,(H2,18,19,21)
InChIKeyHIFVULUBZVAZHS-UHFFFAOYSA-N
MW287.41 g/mol
LogP2.75
Rot. Bonds4

About 1-cyclobutyl-3-[(1-phenylpiperidin-4-yl)methyl]urea

1-cyclobutyl-3-[(1-phenylpiperidin-4-yl)methyl]urea (PubChem CID 141180797) has the molecular formula C17H25N3O and a molecular weight of 287.41 g/mol. Its IUPAC name is 1-cyclobutyl-3-[(1-phenylpiperidin-4-yl)methyl]urea.

Molecular Properties

Compound Name1-cyclobutyl-3-[(1-phenylpiperidin-4-yl)methyl]urea
PubChem CID141180797
Molecular FormulaC17H25N3O
Molecular Weight287.41 g/mol
Exact Mass287.20
IUPAC Name1-cyclobutyl-3-[(1-phenylpiperidin-4-yl)methyl]urea
SMILESO=C(NCC1CCN(c2ccccc2)CC1)NC1CCC1
InChIInChI=1S/C17H25N3O/c21-17(19-15-5-4-6-15)18-13-14-9-11-20(12-10-14)16-7-2-1-3-8-16/h1-3,7-8,14-15H,4-6,9-13H2,(H2,18,19,21)
InChIKeyHIFVULUBZVAZHS-UHFFFAOYSA-N
XLogP2.75
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(1-phenylpiperidin-4-yl)methylcarbamoylamino]cyclohexane-1-carboxylic acid
CID 122012468
1-[1-(cyclopentylmethyl)piperidin-4-yl]-3-[(1-phenylpyrrolidin-3-yl)methyl]urea
CID 51127812
4-(cyclohexylcarbamoylamino)-N-[(1-phenylpyrrolidin-3-yl)methyl]butanamide
CID 55652195
1-cycloheptyl-3-[[1-(4-fluorophenyl)pyrrolidin-3-yl]methyl]urea
CID 71886089
1-[[(3R)-1-phenylpyrrolidin-3-yl]methyl]-3-[(3R)-1-propan-2-ylpyrrolidin-3-yl]urea
CID 124742813
1-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-3-[[(3R)-1-phenylpyrrolidin-3-yl]methyl]urea
CID 95141495
1-methyl-3-[(1-phenylpyrrolidin-3-yl)methyl]urea
CID 20827758
1-(1-benzylpiperidin-4-yl)-3-(cyclopentylmethyl)urea
CID 38887235
1-phenylmethoxy-3-(1-phenylpiperidin-4-yl)urea
CID 86842294
N'-cycloheptyl-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]oxamide
CID 121107666
1-(1-benzylpiperidin-4-yl)-3-[[(3S)-1-(4-fluorophenyl)pyrrolidin-3-yl]methyl]urea
CID 95144958
1-(1-phenylpiperidin-4-yl)-3-(thietan-3-yl)urea
CID 136562095

Frequently Asked Questions

What is the IUPAC name of 1-cyclobutyl-3-[(1-phenylpiperidin-4-yl)methyl]urea?
The IUPAC name of 1-cyclobutyl-3-[(1-phenylpiperidin-4-yl)methyl]urea (CID 141180797) is 1-cyclobutyl-3-[(1-phenylpiperidin-4-yl)methyl]urea.
What is the SMILES notation for 1-cyclobutyl-3-[(1-phenylpiperidin-4-yl)methyl]urea?
The canonical SMILES for 1-cyclobutyl-3-[(1-phenylpiperidin-4-yl)methyl]urea is O=C(NCC1CCN(c2ccccc2)CC1)NC1CCC1.
What is the InChIKey of 1-cyclobutyl-3-[(1-phenylpiperidin-4-yl)methyl]urea?
The InChIKey is HIFVULUBZVAZHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O/c21-17(19-15-5-4-6-15)18-13-14-9-11-20(12-10-14)16-7-2-1-3-8-16/h1-3,7-8,14-15H,4-6,9-13H2,(H2,18,19,21).
What are the key properties of 1-cyclobutyl-3-[(1-phenylpiperidin-4-yl)methyl]urea?
1-cyclobutyl-3-[(1-phenylpiperidin-4-yl)methyl]urea has a molecular weight of 287.41 g/mol, XLogP of 2.75, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclobutyl-3-[(1-phenylpiperidin-4-yl)methyl]urea is sourced from PubChem (CID 141180797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).