1-methyl-3-phenyl-1-(2-piperidin-4-ylethyl)urea

C15H23N3O — CID 54945242

IUPAC1-methyl-3-phenyl-1-(2-piperidin-4-ylethyl)urea
SMILESCN(CCC1CCNCC1)C(=O)Nc1ccccc1
InChIInChI=1S/C15H23N3O/c1-18(12-9-13-7-10-16-11-8-13)15(19)17-14-5-3-2-4-6-14/h2-6,13,16H,7-12H2,1H3,(H,17,19)
InChIKeyOBWJJGFTWFSEPU-UHFFFAOYSA-N
MW261.37 g/mol
LogP2.54
Rot. Bonds4

About 1-methyl-3-phenyl-1-(2-piperidin-4-ylethyl)urea

1-methyl-3-phenyl-1-(2-piperidin-4-ylethyl)urea (PubChem CID 54945242) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is 1-methyl-3-phenyl-1-(2-piperidin-4-ylethyl)urea.

Molecular Properties

Compound Name1-methyl-3-phenyl-1-(2-piperidin-4-ylethyl)urea
PubChem CID54945242
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC Name1-methyl-3-phenyl-1-(2-piperidin-4-ylethyl)urea
SMILESCN(CCC1CCNCC1)C(=O)Nc1ccccc1
InChIInChI=1S/C15H23N3O/c1-18(12-9-13-7-10-16-11-8-13)15(19)17-14-5-3-2-4-6-14/h2-6,13,16H,7-12H2,1H3,(H,17,19)
InChIKeyOBWJJGFTWFSEPU-UHFFFAOYSA-N
XLogP2.54
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(4-fluorophenyl)-1-methyl-1-(2-piperidin-4-ylethyl)urea
CID 60913033
2-[methyl(2-piperidin-4-ylethyl)amino]-N-phenylpropanamide
CID 66273436
methyl(2-piperidin-4-ylethyl)carbamic acid
CID 69061019
3-phenyl-1-piperidin-4-yl-1-propylurea
CID 18372791
ethane;N-methyl-N-(4-piperidin-4-ylbutyl)benzamide
CID 142036974
4-fluoro-N-methyl-N-(2-piperidin-4-ylethyl)benzamide
CID 54945330
1-(3-bromopropyl)-1-methyl-3-phenylurea
CID 106441527
N-(3-fluorophenyl)-2-[methyl(2-piperidin-4-ylethyl)amino]acetamide;hydrochloride
CID 120663420
4-ethyl-N-methyl-N-(2-piperidin-4-ylethyl)benzamide
CID 60915091
3-(3,4-dichlorophenyl)-1-methyl-1-(piperidin-4-ylmethyl)urea
CID 79720369
2-fluoro-6-hydroxy-N-methyl-N-(2-piperidin-4-ylethyl)benzamide
CID 107014722
N-(2-piperidin-4-ylethyl)aniline
CID 4778278

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-phenyl-1-(2-piperidin-4-ylethyl)urea?
The IUPAC name of 1-methyl-3-phenyl-1-(2-piperidin-4-ylethyl)urea (CID 54945242) is 1-methyl-3-phenyl-1-(2-piperidin-4-ylethyl)urea.
What is the SMILES notation for 1-methyl-3-phenyl-1-(2-piperidin-4-ylethyl)urea?
The canonical SMILES for 1-methyl-3-phenyl-1-(2-piperidin-4-ylethyl)urea is CN(CCC1CCNCC1)C(=O)Nc1ccccc1.
What is the InChIKey of 1-methyl-3-phenyl-1-(2-piperidin-4-ylethyl)urea?
The InChIKey is OBWJJGFTWFSEPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c1-18(12-9-13-7-10-16-11-8-13)15(19)17-14-5-3-2-4-6-14/h2-6,13,16H,7-12H2,1H3,(H,17,19).
What are the key properties of 1-methyl-3-phenyl-1-(2-piperidin-4-ylethyl)urea?
1-methyl-3-phenyl-1-(2-piperidin-4-ylethyl)urea has a molecular weight of 261.37 g/mol, XLogP of 2.54, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-phenyl-1-(2-piperidin-4-ylethyl)urea is sourced from PubChem (CID 54945242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).