1-cyclohexyl-1-ethyl-3-[2-(3-methylpiperidin-1-yl)ethyl]urea

C17H33N3O — CID 55804443

IUPAC1-cyclohexyl-1-ethyl-3-[2-(3-methylpiperidin-1-yl)ethyl]urea
SMILESCCN(C(=O)NCCN1CCCC(C)C1)C1CCCCC1
InChIInChI=1S/C17H33N3O/c1-3-20(16-9-5-4-6-10-16)17(21)18-11-13-19-12-7-8-15(2)14-19/h15-16H,3-14H2,1-2H3,(H,18,21)
InChIKeyOAWTYJRNSVAHFT-UHFFFAOYSA-N
MW295.47 g/mol
LogP3.08
Rot. Bonds5

About 1-cyclohexyl-1-ethyl-3-[2-(3-methylpiperidin-1-yl)ethyl]urea

1-cyclohexyl-1-ethyl-3-[2-(3-methylpiperidin-1-yl)ethyl]urea (PubChem CID 55804443) has the molecular formula C17H33N3O and a molecular weight of 295.47 g/mol. Its IUPAC name is 1-cyclohexyl-1-ethyl-3-[2-(3-methylpiperidin-1-yl)ethyl]urea.

Molecular Properties

Compound Name1-cyclohexyl-1-ethyl-3-[2-(3-methylpiperidin-1-yl)ethyl]urea
PubChem CID55804443
Molecular FormulaC17H33N3O
Molecular Weight295.47 g/mol
Exact Mass295.26
IUPAC Name1-cyclohexyl-1-ethyl-3-[2-(3-methylpiperidin-1-yl)ethyl]urea
SMILESCCN(C(=O)NCCN1CCCC(C)C1)C1CCCCC1
InChIInChI=1S/C17H33N3O/c1-3-20(16-9-5-4-6-10-16)17(21)18-11-13-19-12-7-8-15(2)14-19/h15-16H,3-14H2,1-2H3,(H,18,21)
InChIKeyOAWTYJRNSVAHFT-UHFFFAOYSA-N
XLogP3.08
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.47
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-[(3S)-3-methylpiperidin-1-yl]ethyl]prop-2-enamide
CID 125422227
2-methoxy-N-[2-[(3R)-3-methylpiperidin-1-yl]ethyl]acetamide
CID 94116180
(2R)-2-amino-N-[2-(3-methylpiperidin-1-yl)ethyl]propanamide;dihydrochloride
CID 119851018
N-[2-(3-methylpiperidin-1-yl)ethyl]oxolane-2-carboxamide
CID 51080907
2-(diethylsulfamoyl)-N-[4-[(3S)-3-methylpiperidin-1-yl]butyl]acetamide
CID 95351505
3-hydroxy-N-[2-(3-methylpiperidin-1-yl)ethyl]piperidine-1-carboxamide
CID 110896167
4-[[cyclopentyl(ethyl)carbamoyl]amino]-2-hydroxybutanoic acid
CID 107838455
1,1-diethyl-3-[1-(3-methylpiperidin-1-yl)propan-2-yl]urea
CID 60577973
1,1-diethyl-3-(2-piperidin-1-ylethyl)urea
CID 115583735
1-[(3-hydroxycyclohexyl)methyl]-3-[2-(3-methylpiperidin-1-yl)ethyl]urea
CID 111504652
(2S)-N-[2-[(3S)-3-methylpiperidin-1-yl]ethyl]-2-pyrazol-1-ylpropanamide
CID 98752523
1-(cyclopropanecarbonyl)-N-[2-[(3S)-3-methylpiperidin-1-yl]ethyl]piperidine-4-carboxamide
CID 94115475

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-1-ethyl-3-[2-(3-methylpiperidin-1-yl)ethyl]urea?
The IUPAC name of 1-cyclohexyl-1-ethyl-3-[2-(3-methylpiperidin-1-yl)ethyl]urea (CID 55804443) is 1-cyclohexyl-1-ethyl-3-[2-(3-methylpiperidin-1-yl)ethyl]urea.
What is the SMILES notation for 1-cyclohexyl-1-ethyl-3-[2-(3-methylpiperidin-1-yl)ethyl]urea?
The canonical SMILES for 1-cyclohexyl-1-ethyl-3-[2-(3-methylpiperidin-1-yl)ethyl]urea is CCN(C(=O)NCCN1CCCC(C)C1)C1CCCCC1.
What is the InChIKey of 1-cyclohexyl-1-ethyl-3-[2-(3-methylpiperidin-1-yl)ethyl]urea?
The InChIKey is OAWTYJRNSVAHFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33N3O/c1-3-20(16-9-5-4-6-10-16)17(21)18-11-13-19-12-7-8-15(2)14-19/h15-16H,3-14H2,1-2H3,(H,18,21).
What are the key properties of 1-cyclohexyl-1-ethyl-3-[2-(3-methylpiperidin-1-yl)ethyl]urea?
1-cyclohexyl-1-ethyl-3-[2-(3-methylpiperidin-1-yl)ethyl]urea has a molecular weight of 295.47 g/mol, XLogP of 3.08, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-1-ethyl-3-[2-(3-methylpiperidin-1-yl)ethyl]urea is sourced from PubChem (CID 55804443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).