3-ethyl-1-methyl-1-(1-phenylpiperidin-3-yl)urea

C15H23N3O — CID 136526166

IUPAC3-ethyl-1-methyl-1-(1-phenylpiperidin-3-yl)urea
SMILESCCNC(=O)N(C)C1CCCN(c2ccccc2)C1
InChIInChI=1S/C15H23N3O/c1-3-16-15(19)17(2)14-10-7-11-18(12-14)13-8-5-4-6-9-13/h4-6,8-9,14H,3,7,10-12H2,1-2H3,(H,16,19)
InChIKeySGEYWBGWJSPVPU-UHFFFAOYSA-N
MW261.37 g/mol
LogP2.32
Rot. Bonds3

About 3-ethyl-1-methyl-1-(1-phenylpiperidin-3-yl)urea

3-ethyl-1-methyl-1-(1-phenylpiperidin-3-yl)urea (PubChem CID 136526166) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is 3-ethyl-1-methyl-1-(1-phenylpiperidin-3-yl)urea.

Molecular Properties

Compound Name3-ethyl-1-methyl-1-(1-phenylpiperidin-3-yl)urea
PubChem CID136526166
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC Name3-ethyl-1-methyl-1-(1-phenylpiperidin-3-yl)urea
SMILESCCNC(=O)N(C)C1CCCN(c2ccccc2)C1
InChIInChI=1S/C15H23N3O/c1-3-16-15(19)17(2)14-10-7-11-18(12-14)13-8-5-4-6-9-13/h4-6,8-9,14H,3,7,10-12H2,1-2H3,(H,16,19)
InChIKeySGEYWBGWJSPVPU-UHFFFAOYSA-N
XLogP2.32
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-N-methyl-N-(1-phenylpiperidin-3-yl)benzamide
CID 119947279
4-amino-N-methyl-N-(1-phenylpiperidin-3-yl)butanamide
CID 119889710
N-[(2R)-1-[methyl-[(3R)-1-phenylpiperidin-3-yl]amino]-1-oxopropan-2-yl]cyclobutanecarboxamide
CID 97061605
1-methyl-1-[(3R)-1-phenylpiperidin-3-yl]-3-pyrimidin-4-ylurea
CID 124626898
(2S)-2-amino-N-methyl-4-methylsulfanyl-N-(1-phenylpiperidin-3-yl)butanamide
CID 119889652
2-amino-N-methyl-4-methylsulfonyl-N-(1-phenylpiperidin-3-yl)butanamide
CID 119958110
3-amino-N-methyl-N-(1-phenylpiperidin-3-yl)cyclohexane-1-carboxamide
CID 119889662
3-[[methyl-(1-phenylpiperidin-3-yl)amino]methyl]benzoic acid
CID 122029147
N-methyl-N-(1-phenylpiperidin-3-yl)pyrrolidine-3-carboxamide
CID 119889712
N-carbamoyl-3-[methyl-[(3S)-1-phenylpiperidin-3-yl]amino]propanamide
CID 96522063
3-amino-N-methyl-N-(1-phenylpiperidin-3-yl)cyclohexane-1-carboxamide;dihydrochloride
CID 119889661
2-[(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-N-methyl-N-[(3R)-1-phenylpiperidin-3-yl]acetamide
CID 99104062

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-methyl-1-(1-phenylpiperidin-3-yl)urea?
The IUPAC name of 3-ethyl-1-methyl-1-(1-phenylpiperidin-3-yl)urea (CID 136526166) is 3-ethyl-1-methyl-1-(1-phenylpiperidin-3-yl)urea.
What is the SMILES notation for 3-ethyl-1-methyl-1-(1-phenylpiperidin-3-yl)urea?
The canonical SMILES for 3-ethyl-1-methyl-1-(1-phenylpiperidin-3-yl)urea is CCNC(=O)N(C)C1CCCN(c2ccccc2)C1.
What is the InChIKey of 3-ethyl-1-methyl-1-(1-phenylpiperidin-3-yl)urea?
The InChIKey is SGEYWBGWJSPVPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c1-3-16-15(19)17(2)14-10-7-11-18(12-14)13-8-5-4-6-9-13/h4-6,8-9,14H,3,7,10-12H2,1-2H3,(H,16,19).
What are the key properties of 3-ethyl-1-methyl-1-(1-phenylpiperidin-3-yl)urea?
3-ethyl-1-methyl-1-(1-phenylpiperidin-3-yl)urea has a molecular weight of 261.37 g/mol, XLogP of 2.32, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-methyl-1-(1-phenylpiperidin-3-yl)urea is sourced from PubChem (CID 136526166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).