1-(2-benzylpiperidin-1-yl)-1-propylurea

C16H25N3O — CID 54407183

IUPAC1-(2-benzylpiperidin-1-yl)-1-propylurea
SMILESCCCN(C(N)=O)N1CCCCC1Cc1ccccc1
InChIInChI=1S/C16H25N3O/c1-2-11-19(16(17)20)18-12-7-6-10-15(18)13-14-8-4-3-5-9-14/h3-5,8-9,15H,2,6-7,10-13H2,1H3,(H2,17,20)
InChIKeyVRNWXZWDLDAJEW-UHFFFAOYSA-N
MW275.40 g/mol
LogP2.79
Rot. Bonds5

About 1-(2-benzylpiperidin-1-yl)-1-propylurea

1-(2-benzylpiperidin-1-yl)-1-propylurea (PubChem CID 54407183) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is 1-(2-benzylpiperidin-1-yl)-1-propylurea.

Molecular Properties

Compound Name1-(2-benzylpiperidin-1-yl)-1-propylurea
PubChem CID54407183
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC Name1-(2-benzylpiperidin-1-yl)-1-propylurea
SMILESCCCN(C(N)=O)N1CCCCC1Cc1ccccc1
InChIInChI=1S/C16H25N3O/c1-2-11-19(16(17)20)18-12-7-6-10-15(18)13-14-8-4-3-5-9-14/h3-5,8-9,15H,2,6-7,10-13H2,1H3,(H2,17,20)
InChIKeyVRNWXZWDLDAJEW-UHFFFAOYSA-N
XLogP2.79
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-Phenylbutyl)-3-piperidin-4-ylurea
CID 154665761
4-benzyl-N-propylpiperidine-1-carboxamide
CID 6469905
1-Piperidinecarboxamide, 4-phenyl-
CID 204539
1-Piperidinecarboxamide, 4-benzyl-
CID 207956
N-Nitroso-2-phenylethylurea
CID 96395
4-Benzyl-N-methylpiperidine-1-carboxamide
CID 10657233
4-benzyl-N-propan-2-ylpiperidine-1-carboxamide
CID 10777770
4-Methyl-2-phenylpiperazine-1-carboxamide
CID 20113333
4-benzyl-N,N-dimethylpiperidine-1-carboxamide
CID 2231312
4-[4-(4-Methylphenyl)butan-2-ylamino]piperidine-1-carboxamide
CID 75428155
(2S,3R)-2-benzyl-3-(4-methylpiperazin-1-yl)pyrrolidine-1-carboxamide
CID 97411829
N-(1-benzylpropyl)urea
CID 2852730

Frequently Asked Questions

What is the IUPAC name of 1-(2-benzylpiperidin-1-yl)-1-propylurea?
The IUPAC name of 1-(2-benzylpiperidin-1-yl)-1-propylurea (CID 54407183) is 1-(2-benzylpiperidin-1-yl)-1-propylurea.
What is the SMILES notation for 1-(2-benzylpiperidin-1-yl)-1-propylurea?
The canonical SMILES for 1-(2-benzylpiperidin-1-yl)-1-propylurea is CCCN(C(N)=O)N1CCCCC1Cc1ccccc1.
What is the InChIKey of 1-(2-benzylpiperidin-1-yl)-1-propylurea?
The InChIKey is VRNWXZWDLDAJEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O/c1-2-11-19(16(17)20)18-12-7-6-10-15(18)13-14-8-4-3-5-9-14/h3-5,8-9,15H,2,6-7,10-13H2,1H3,(H2,17,20).
What are the key properties of 1-(2-benzylpiperidin-1-yl)-1-propylurea?
1-(2-benzylpiperidin-1-yl)-1-propylurea has a molecular weight of 275.40 g/mol, XLogP of 2.79, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-benzylpiperidin-1-yl)-1-propylurea is sourced from PubChem (CID 54407183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).