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

Siduron
CID 16116
Urea, N-(1-methylethyl)-N'-phenyl-
CID 29852
N-Cyclopentyl-N'-phenylurea
CID 25740
N-Cyclohexyl-N'-(4-(dimethylamino)phenyl)urea
CID 844453
N-(4-Piperidinyl)phenylacetamide
CID 74156
N-Cyclohexyl-N'-(4-Iodophenyl)Urea
CID 4357
N-Cyclohexyl-N'-phenylurea
CID 13451
N,N-Diethyl-N'-phenylurea
CID 13906
1-Ethyl-1,3-diphenylurea
CID 98685
3-(1-Benzylpiperidin-4-yl)-1-phenylurea
CID 4064342
N-(Cyclohexylmethyl)-N'-phenylurea
CID 4557394
N-phenylpiperazine-1-carboxamide hydrochloride
CID 16265344

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).