1-(1-benzylpiperidin-4-yl)-3-(1-methylcyclobutyl)urea

C18H27N3O — CID 136517668

IUPAC1-(1-benzylpiperidin-4-yl)-3-(1-methylcyclobutyl)urea
SMILESCC1(NC(=O)NC2CCN(Cc3ccccc3)CC2)CCC1
InChIInChI=1S/C18H27N3O/c1-18(10-5-11-18)20-17(22)19-16-8-12-21(13-9-16)14-15-6-3-2-4-7-15/h2-4,6-7,16H,5,8-14H2,1H3,(H2,19,20,22)
InChIKeyYZURZJOAEXIMOZ-UHFFFAOYSA-N
MW301.43 g/mol
LogP2.89
Rot. Bonds4

About 1-(1-benzylpiperidin-4-yl)-3-(1-methylcyclobutyl)urea

1-(1-benzylpiperidin-4-yl)-3-(1-methylcyclobutyl)urea (PubChem CID 136517668) has the molecular formula C18H27N3O and a molecular weight of 301.43 g/mol. Its IUPAC name is 1-(1-benzylpiperidin-4-yl)-3-(1-methylcyclobutyl)urea.

Molecular Properties

Compound Name1-(1-benzylpiperidin-4-yl)-3-(1-methylcyclobutyl)urea
PubChem CID136517668
Molecular FormulaC18H27N3O
Molecular Weight301.43 g/mol
Exact Mass301.22
IUPAC Name1-(1-benzylpiperidin-4-yl)-3-(1-methylcyclobutyl)urea
SMILESCC1(NC(=O)NC2CCN(Cc3ccccc3)CC2)CCC1
InChIInChI=1S/C18H27N3O/c1-18(10-5-11-18)20-17(22)19-16-8-12-21(13-9-16)14-15-6-3-2-4-7-15/h2-4,6-7,16H,5,8-14H2,1H3,(H2,19,20,22)
InChIKeyYZURZJOAEXIMOZ-UHFFFAOYSA-N
XLogP2.89
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.43
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1-methylcyclobutyl)-3-[1-(thiophen-3-ylmethyl)piperidin-4-yl]urea
CID 91659891
1-(1-benzylpiperidin-4-yl)-3-[(1-hydroxycyclopentyl)methyl]urea
CID 110902615
(2S)-2-[(1-benzylpiperidin-4-yl)carbamoylamino]-3-methylbutanoic acid
CID 945258
(2S)-2-amino-N-(1-benzylpiperidin-4-yl)propanamide
CID 770488
1-(1-benzylpiperidin-4-yl)-3-(cyclopentylmethyl)urea
CID 38887235
(1R)-N-(1-benzylpiperidin-4-yl)-2,2-dichloro-1-methylcyclopropane-1-carboxamide
CID 2712549
1-(1-benzylpiperidin-4-yl)-3-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]urea
CID 38886852
1-(1-benzylpiperidin-4-yl)-3-[2,6-di(propan-2-yl)phenyl]urea
CID 42695642
ethyl 4-[(1-benzylpiperidin-4-yl)carbamoylamino]piperidine-1-carboxylate
CID 55472237
N-(1-benzylpiperidin-4-yl)cyclobutanecarboxamide
CID 2729529
1-(1-benzylpiperidin-4-yl)-3-(4-propan-2-ylphenyl)urea
CID 3730510
N-(1-benzylpiperidin-4-yl)-3-methylpiperidine-3-carboxamide;dihydrochloride
CID 119946069

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzylpiperidin-4-yl)-3-(1-methylcyclobutyl)urea?
The IUPAC name of 1-(1-benzylpiperidin-4-yl)-3-(1-methylcyclobutyl)urea (CID 136517668) is 1-(1-benzylpiperidin-4-yl)-3-(1-methylcyclobutyl)urea.
What is the SMILES notation for 1-(1-benzylpiperidin-4-yl)-3-(1-methylcyclobutyl)urea?
The canonical SMILES for 1-(1-benzylpiperidin-4-yl)-3-(1-methylcyclobutyl)urea is CC1(NC(=O)NC2CCN(Cc3ccccc3)CC2)CCC1.
What is the InChIKey of 1-(1-benzylpiperidin-4-yl)-3-(1-methylcyclobutyl)urea?
The InChIKey is YZURZJOAEXIMOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O/c1-18(10-5-11-18)20-17(22)19-16-8-12-21(13-9-16)14-15-6-3-2-4-7-15/h2-4,6-7,16H,5,8-14H2,1H3,(H2,19,20,22).
What are the key properties of 1-(1-benzylpiperidin-4-yl)-3-(1-methylcyclobutyl)urea?
1-(1-benzylpiperidin-4-yl)-3-(1-methylcyclobutyl)urea has a molecular weight of 301.43 g/mol, XLogP of 2.89, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzylpiperidin-4-yl)-3-(1-methylcyclobutyl)urea is sourced from PubChem (CID 136517668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).