1-(1-benzylpiperidin-3-yl)-3-cyclobutylurea

C17H25N3O — CID 115617829

IUPAC1-(1-benzylpiperidin-3-yl)-3-cyclobutylurea
SMILESO=C(NC1CCC1)NC1CCCN(Cc2ccccc2)C1
InChIInChI=1S/C17H25N3O/c21-17(18-15-8-4-9-15)19-16-10-5-11-20(13-16)12-14-6-2-1-3-7-14/h1-3,6-7,15-16H,4-5,8-13H2,(H2,18,19,21)
InChIKeyMNCJNNQEFLKYCN-UHFFFAOYSA-N
MW287.41 g/mol
LogP2.50
Rot. Bonds4

About 1-(1-benzylpiperidin-3-yl)-3-cyclobutylurea

1-(1-benzylpiperidin-3-yl)-3-cyclobutylurea (PubChem CID 115617829) has the molecular formula C17H25N3O and a molecular weight of 287.41 g/mol. Its IUPAC name is 1-(1-benzylpiperidin-3-yl)-3-cyclobutylurea.

Molecular Properties

Compound Name1-(1-benzylpiperidin-3-yl)-3-cyclobutylurea
PubChem CID115617829
Molecular FormulaC17H25N3O
Molecular Weight287.41 g/mol
Exact Mass287.20
IUPAC Name1-(1-benzylpiperidin-3-yl)-3-cyclobutylurea
SMILESO=C(NC1CCC1)NC1CCCN(Cc2ccccc2)C1
InChIInChI=1S/C17H25N3O/c21-17(18-15-8-4-9-15)19-16-10-5-11-20(13-16)12-14-6-2-1-3-7-14/h1-3,6-7,15-16H,4-5,8-13H2,(H2,18,19,21)
InChIKeyMNCJNNQEFLKYCN-UHFFFAOYSA-N
XLogP2.50
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 ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-benzyl-3-[(3S)-1-benzylpiperidin-3-yl]urea
CID 51941035
N-[(3S)-1-benzylpiperidin-3-yl]acetamide
CID 58526543
N-(1-benzylpiperidin-3-yl)-3-phenylpropanamide
CID 42958724
N-(1-benzylpiperidin-3-yl)-4-(cyclopropylcarbamoylamino)benzamide
CID 60508760
1-[[(1-benzylpiperidin-3-yl)carbamoylamino]methyl]cyclopentane-1-carboxylic acid
CID 113309373
N-(1-benzylpiperidin-3-yl)butanamide
CID 60756097
(2S)-2-amino-N-(1-benzylpiperidin-3-yl)butanamide
CID 79022762
2-[[(3S)-1-benzylpiperidin-3-yl]amino]acetic acid
CID 66564975
N-(1-benzylpiperidin-3-yl)-2-(propan-2-ylamino)acetamide
CID 64590485
N-(1-benzylpiperidin-3-yl)-2-methylbenzamide
CID 42958722
(3R)-1-benzyl-N-methylpiperidin-3-amine;sulfane
CID 162106706
3-amino-N-(1-benzylpiperidin-3-yl)butanamide;dihydrochloride
CID 119856024

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzylpiperidin-3-yl)-3-cyclobutylurea?
The IUPAC name of 1-(1-benzylpiperidin-3-yl)-3-cyclobutylurea (CID 115617829) is 1-(1-benzylpiperidin-3-yl)-3-cyclobutylurea.
What is the SMILES notation for 1-(1-benzylpiperidin-3-yl)-3-cyclobutylurea?
The canonical SMILES for 1-(1-benzylpiperidin-3-yl)-3-cyclobutylurea is O=C(NC1CCC1)NC1CCCN(Cc2ccccc2)C1.
What is the InChIKey of 1-(1-benzylpiperidin-3-yl)-3-cyclobutylurea?
The InChIKey is MNCJNNQEFLKYCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O/c21-17(18-15-8-4-9-15)19-16-10-5-11-20(13-16)12-14-6-2-1-3-7-14/h1-3,6-7,15-16H,4-5,8-13H2,(H2,18,19,21).
What are the key properties of 1-(1-benzylpiperidin-3-yl)-3-cyclobutylurea?
1-(1-benzylpiperidin-3-yl)-3-cyclobutylurea has a molecular weight of 287.41 g/mol, XLogP of 2.50, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzylpiperidin-3-yl)-3-cyclobutylurea is sourced from PubChem (CID 115617829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).