3-[[(2R)-1-ethylpiperidin-2-yl]methyl]-1-methyl-1-[(1S)-1-pyridin-2-ylethyl]urea

C17H28N4O — CID 96516588

IUPAC3-[[(2R)-1-ethylpiperidin-2-yl]methyl]-1-methyl-1-[(1S)-1-pyridin-2-ylethyl]urea
SMILESCCN1CCCC[C@@H]1CNC(=O)N(C)[C@@H](C)c1ccccn1
InChIInChI=1S/C17H28N4O/c1-4-21-12-8-6-9-15(21)13-19-17(22)20(3)14(2)16-10-5-7-11-18-16/h5,7,10-11,14-15H,4,6,8-9,12-13H2,1-3H3,(H,19,22)/t14-,15+/m0/s1
InChIKeyZSXCQAZRHDPLBY-LSDHHAIUSA-N
MW304.44 g/mol
LogP2.66
Rot. Bonds5

About 3-[[(2R)-1-ethylpiperidin-2-yl]methyl]-1-methyl-1-[(1S)-1-pyridin-2-ylethyl]urea

3-[[(2R)-1-ethylpiperidin-2-yl]methyl]-1-methyl-1-[(1S)-1-pyridin-2-ylethyl]urea (PubChem CID 96516588) has the molecular formula C17H28N4O and a molecular weight of 304.44 g/mol. Its IUPAC name is 3-[[(2R)-1-ethylpiperidin-2-yl]methyl]-1-methyl-1-[(1S)-1-pyridin-2-ylethyl]urea.

Molecular Properties

Compound Name3-[[(2R)-1-ethylpiperidin-2-yl]methyl]-1-methyl-1-[(1S)-1-pyridin-2-ylethyl]urea
PubChem CID96516588
Molecular FormulaC17H28N4O
Molecular Weight304.44 g/mol
Exact Mass304.23
IUPAC Name3-[[(2R)-1-ethylpiperidin-2-yl]methyl]-1-methyl-1-[(1S)-1-pyridin-2-ylethyl]urea
SMILESCCN1CCCC[C@@H]1CNC(=O)N(C)[C@@H](C)c1ccccn1
InChIInChI=1S/C17H28N4O/c1-4-21-12-8-6-9-15(21)13-19-17(22)20(3)14(2)16-10-5-7-11-18-16/h5,7,10-11,14-15H,4,6,8-9,12-13H2,1-3H3,(H,19,22)/t14-,15+/m0/s1
InChIKeyZSXCQAZRHDPLBY-LSDHHAIUSA-N
XLogP2.66
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.44
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-[[(2R)-1-ethylpiperidin-2-yl]methyl]-1-methyl-1-[(1S)-1-pyridin-2-ylethyl]urea with MolForge

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Related Compounds

N-[(1-ethylpyrrolidin-2-yl)methyl]-1-pyridin-2-ylethanamine
CID 43195854
(2S)-N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-2-pyridin-2-ylpentanamide
CID 100756925
3-[[4-(azepan-1-ylmethyl)phenyl]methyl]-1-methyl-1-(1-pyridin-2-ylethyl)urea
CID 86867437
N-[(1-ethylpyrrolidin-2-yl)methyl]-2-fluoropyridine-3-carboxamide
CID 107358520
2-[(1-ethylpyrrolidin-2-yl)methylcarbamoyl]pyridine-3-carboxylic acid
CID 63614750
2-[(2S)-1-amino-1-oxopropan-2-yl]sulfanyl-N-[[(2R)-1-ethylpiperidin-2-yl]methyl]benzamide
CID 124730047
N-[(1-ethylpyrrolidin-2-yl)methyl]-2-phenylpropanamide
CID 70678323
(2R)-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-2-phenylpropanamide
CID 98789122
3-[2-(diethylsulfamoyl)ethyl]-1-methyl-1-[(1S)-1-pyridin-2-ylethyl]urea
CID 95614918
N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-1-pyrimidin-2-ylpiperidine-4-carboxamide
CID 40900290
1-benzyl-3-[(1-ethylpyrrolidin-2-yl)methyl]urea
CID 103604163
N-methyl-N-(1-pyridin-2-ylethyl)-1-sulfamoylpiperidine-4-carboxamide
CID 146085172

Frequently Asked Questions

What is the IUPAC name of 3-[[(2R)-1-ethylpiperidin-2-yl]methyl]-1-methyl-1-[(1S)-1-pyridin-2-ylethyl]urea?
The IUPAC name of 3-[[(2R)-1-ethylpiperidin-2-yl]methyl]-1-methyl-1-[(1S)-1-pyridin-2-ylethyl]urea (CID 96516588) is 3-[[(2R)-1-ethylpiperidin-2-yl]methyl]-1-methyl-1-[(1S)-1-pyridin-2-ylethyl]urea.
What is the SMILES notation for 3-[[(2R)-1-ethylpiperidin-2-yl]methyl]-1-methyl-1-[(1S)-1-pyridin-2-ylethyl]urea?
The canonical SMILES for 3-[[(2R)-1-ethylpiperidin-2-yl]methyl]-1-methyl-1-[(1S)-1-pyridin-2-ylethyl]urea is CCN1CCCC[C@@H]1CNC(=O)N(C)[C@@H](C)c1ccccn1.
What is the InChIKey of 3-[[(2R)-1-ethylpiperidin-2-yl]methyl]-1-methyl-1-[(1S)-1-pyridin-2-ylethyl]urea?
The InChIKey is ZSXCQAZRHDPLBY-LSDHHAIUSA-N. The full InChI is InChI=1S/C17H28N4O/c1-4-21-12-8-6-9-15(21)13-19-17(22)20(3)14(2)16-10-5-7-11-18-16/h5,7,10-11,14-15H,4,6,8-9,12-13H2,1-3H3,(H,19,22)/t14-,15+/m0/s1.
What are the key properties of 3-[[(2R)-1-ethylpiperidin-2-yl]methyl]-1-methyl-1-[(1S)-1-pyridin-2-ylethyl]urea?
3-[[(2R)-1-ethylpiperidin-2-yl]methyl]-1-methyl-1-[(1S)-1-pyridin-2-ylethyl]urea has a molecular weight of 304.44 g/mol, XLogP of 2.66, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(2R)-1-ethylpiperidin-2-yl]methyl]-1-methyl-1-[(1S)-1-pyridin-2-ylethyl]urea is sourced from PubChem (CID 96516588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).