1,3-dimethyl-1-[1-(2-phenylethyl)piperidin-4-yl]urea

C16H25N3O — CID 91557912

IUPAC1,3-dimethyl-1-[1-(2-phenylethyl)piperidin-4-yl]urea
SMILESCNC(=O)N(C)C1CCN(CCc2ccccc2)CC1
InChIInChI=1S/C16H25N3O/c1-17-16(20)18(2)15-9-12-19(13-10-15)11-8-14-6-4-3-5-7-14/h3-7,15H,8-13H2,1-2H3,(H,17,20)
InChIKeyGZPXEMYSSKGKBI-UHFFFAOYSA-N
MW275.40 g/mol
LogP1.96
Rot. Bonds4

About 1,3-dimethyl-1-[1-(2-phenylethyl)piperidin-4-yl]urea

1,3-dimethyl-1-[1-(2-phenylethyl)piperidin-4-yl]urea (PubChem CID 91557912) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is 1,3-dimethyl-1-[1-(2-phenylethyl)piperidin-4-yl]urea.

Molecular Properties

Compound Name1,3-dimethyl-1-[1-(2-phenylethyl)piperidin-4-yl]urea
PubChem CID91557912
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC Name1,3-dimethyl-1-[1-(2-phenylethyl)piperidin-4-yl]urea
SMILESCNC(=O)N(C)C1CCN(CCc2ccccc2)CC1
InChIInChI=1S/C16H25N3O/c1-17-16(20)18(2)15-9-12-19(13-10-15)11-8-14-6-4-3-5-7-14/h3-7,15H,8-13H2,1-2H3,(H,17,20)
InChIKeyGZPXEMYSSKGKBI-UHFFFAOYSA-N
XLogP1.96
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[1-(2-hydroxyethyl)piperidin-4-yl]-1,3-dimethylurea
CID 91351399
N-((1,2,3,4,5,6-13C6)cyclohexatrienyl)-N-[1-(2-phenylethyl)piperidin-4-yl]acetamide
CID 165365115
N,N-dimethyl-2-[[1-(2-phenylethyl)piperidin-4-yl]amino]acetamide
CID 60796882
N-methyl-2-[[1-(2-phenylethyl)pyrrolidin-3-yl]amino]acetamide
CID 61212881
2-phenoxy-N-[[1-(2-phenylethyl)piperidin-4-yl]methyl]acetamide
CID 16895752
N-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide
CID 3345
oxalic acid;bis(N-[1-(2-phenylethyl)piperidin-4-yl]propanamide)
CID 146470915
oxalic acid;N-[1-(2-phenylethyl)piperidin-4-yl]propanamide
CID 118877840
N-methyl-2-[1-(3-phenylpropyl)piperidin-4-yl]acetamide
CID 142597068
1-[1-(2-phenylethyl)piperidin-4-yl]propan-2-one
CID 91066531
1-(2-phenylethyl)-4-propan-2-ylpiperidine
CID 18683008
N-methyl-N-(1-methylpiperidin-4-yl)-4-[1-(2-phenylethyl)piperidin-4-yl]oxybenzamide
CID 26328291

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-1-[1-(2-phenylethyl)piperidin-4-yl]urea?
The IUPAC name of 1,3-dimethyl-1-[1-(2-phenylethyl)piperidin-4-yl]urea (CID 91557912) is 1,3-dimethyl-1-[1-(2-phenylethyl)piperidin-4-yl]urea.
What is the SMILES notation for 1,3-dimethyl-1-[1-(2-phenylethyl)piperidin-4-yl]urea?
The canonical SMILES for 1,3-dimethyl-1-[1-(2-phenylethyl)piperidin-4-yl]urea is CNC(=O)N(C)C1CCN(CCc2ccccc2)CC1.
What is the InChIKey of 1,3-dimethyl-1-[1-(2-phenylethyl)piperidin-4-yl]urea?
The InChIKey is GZPXEMYSSKGKBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O/c1-17-16(20)18(2)15-9-12-19(13-10-15)11-8-14-6-4-3-5-7-14/h3-7,15H,8-13H2,1-2H3,(H,17,20).
What are the key properties of 1,3-dimethyl-1-[1-(2-phenylethyl)piperidin-4-yl]urea?
1,3-dimethyl-1-[1-(2-phenylethyl)piperidin-4-yl]urea has a molecular weight of 275.40 g/mol, XLogP of 1.96, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-1-[1-(2-phenylethyl)piperidin-4-yl]urea is sourced from PubChem (CID 91557912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).