3-[(1-ethylpiperidin-3-yl)methyl]-1-(2-phenylethyl)-1-(pyridin-3-ylmethyl)urea

C23H32N4O — CID 121499552

IUPAC3-[(1-ethylpiperidin-3-yl)methyl]-1-(2-phenylethyl)-1-(pyridin-3-ylmethyl)urea
SMILESCCN1CCCC(CNC(=O)N(CCc2ccccc2)Cc2cccnc2)C1
InChIInChI=1S/C23H32N4O/c1-2-26-14-7-11-22(18-26)17-25-23(28)27(19-21-10-6-13-24-16-21)15-12-20-8-4-3-5-9-20/h3-6,8-10,13,16,22H,2,7,11-12,14-15,17-19H2,1H3,(H,25,28)
InChIKeyOMZPZFLZILCWLT-UHFFFAOYSA-N
MW380.54 g/mol
LogP3.57
Rot. Bonds8

About 3-[(1-ethylpiperidin-3-yl)methyl]-1-(2-phenylethyl)-1-(pyridin-3-ylmethyl)urea

3-[(1-ethylpiperidin-3-yl)methyl]-1-(2-phenylethyl)-1-(pyridin-3-ylmethyl)urea (PubChem CID 121499552) has the molecular formula C23H32N4O and a molecular weight of 380.54 g/mol. Its IUPAC name is 3-[(1-ethylpiperidin-3-yl)methyl]-1-(2-phenylethyl)-1-(pyridin-3-ylmethyl)urea.

Molecular Properties

Compound Name3-[(1-ethylpiperidin-3-yl)methyl]-1-(2-phenylethyl)-1-(pyridin-3-ylmethyl)urea
PubChem CID121499552
Molecular FormulaC23H32N4O
Molecular Weight380.54 g/mol
Exact Mass380.26
IUPAC Name3-[(1-ethylpiperidin-3-yl)methyl]-1-(2-phenylethyl)-1-(pyridin-3-ylmethyl)urea
SMILESCCN1CCCC(CNC(=O)N(CCc2ccccc2)Cc2cccnc2)C1
InChIInChI=1S/C23H32N4O/c1-2-26-14-7-11-22(18-26)17-25-23(28)27(19-21-10-6-13-24-16-21)15-12-20-8-4-3-5-9-20/h3-6,8-10,13,16,22H,2,7,11-12,14-15,17-19H2,1H3,(H,25,28)
InChIKeyOMZPZFLZILCWLT-UHFFFAOYSA-N
XLogP3.57
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.54
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(3R)-1-ethylpyrrolidin-3-yl]-1-(2-phenylethyl)-1-(pyridin-3-ylmethyl)urea
CID 126422640
3-[(1,4-dimethylpiperazin-2-yl)methyl]-1-(2-phenylethyl)-1-(pyridin-3-ylmethyl)urea
CID 131917921
3-[1-(1-methylpiperidin-4-yl)ethyl]-1-(2-phenylethyl)-1-(pyridin-3-ylmethyl)urea
CID 122572025
4-ethyl-N-[[(3R)-1-(2-phenylethyl)piperidin-3-yl]methyl]piperazine-1-carboxamide
CID 126426505
N-[[(3R)-1-ethylpiperidin-3-yl]methyl]-2-phenylmethoxyacetamide
CID 94809339
1-[(4-hydroxyphenyl)methyl]-3-[[(3R)-1-propan-2-ylpyrrolidin-3-yl]methyl]-1-(pyridin-3-ylmethyl)urea
CID 126431701
1-[[(3S)-1-(2-phenylethyl)pyrrolidin-3-yl]methyl]-3-(pyridin-3-ylmethyl)urea
CID 95570929
2,6-dimethyl-N-[[(3S)-1-(pyridin-3-ylmethyl)piperidin-3-yl]methyl]benzamide
CID 97227448
trans-(1R,2R)-2-phenyl-N-[[(3S)-1-(pyridin-3-ylmethyl)piperidin-3-yl]methyl]cyclopropane-1-carboxamide
CID 97212321
2-ethyl-N-[[1-(pyridin-3-ylmethyl)piperidin-3-yl]methyl]pyrimidine-5-carboxamide
CID 56714461
1-methyl-1-(1,2-oxazol-3-ylmethyl)-3-[[(3S)-1-(2-phenylethyl)piperidin-3-yl]methyl]urea
CID 126438052
4-benzyl-N-[(1-ethylpiperidin-3-yl)methyl]-N'-methylpiperazine-1-carboximidamide
CID 110959635

Frequently Asked Questions

What is the IUPAC name of 3-[(1-ethylpiperidin-3-yl)methyl]-1-(2-phenylethyl)-1-(pyridin-3-ylmethyl)urea?
The IUPAC name of 3-[(1-ethylpiperidin-3-yl)methyl]-1-(2-phenylethyl)-1-(pyridin-3-ylmethyl)urea (CID 121499552) is 3-[(1-ethylpiperidin-3-yl)methyl]-1-(2-phenylethyl)-1-(pyridin-3-ylmethyl)urea.
What is the SMILES notation for 3-[(1-ethylpiperidin-3-yl)methyl]-1-(2-phenylethyl)-1-(pyridin-3-ylmethyl)urea?
The canonical SMILES for 3-[(1-ethylpiperidin-3-yl)methyl]-1-(2-phenylethyl)-1-(pyridin-3-ylmethyl)urea is CCN1CCCC(CNC(=O)N(CCc2ccccc2)Cc2cccnc2)C1.
What is the InChIKey of 3-[(1-ethylpiperidin-3-yl)methyl]-1-(2-phenylethyl)-1-(pyridin-3-ylmethyl)urea?
The InChIKey is OMZPZFLZILCWLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N4O/c1-2-26-14-7-11-22(18-26)17-25-23(28)27(19-21-10-6-13-24-16-21)15-12-20-8-4-3-5-9-20/h3-6,8-10,13,16,22H,2,7,11-12,14-15,17-19H2,1H3,(H,25,28).
What are the key properties of 3-[(1-ethylpiperidin-3-yl)methyl]-1-(2-phenylethyl)-1-(pyridin-3-ylmethyl)urea?
3-[(1-ethylpiperidin-3-yl)methyl]-1-(2-phenylethyl)-1-(pyridin-3-ylmethyl)urea has a molecular weight of 380.54 g/mol, XLogP of 3.57, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-ethylpiperidin-3-yl)methyl]-1-(2-phenylethyl)-1-(pyridin-3-ylmethyl)urea is sourced from PubChem (CID 121499552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).