1-(2-methoxy-1-pyridin-2-ylethyl)-1-methyl-3-[2-(piperidin-1-ylmethyl)phenyl]urea

C22H30N4O2 — CID 72899411

IUPAC1-(2-methoxy-1-pyridin-2-ylethyl)-1-methyl-3-[2-(piperidin-1-ylmethyl)phenyl]urea
SMILESCOCC(c1ccccn1)N(C)C(=O)Nc1ccccc1CN1CCCCC1
InChIInChI=1S/C22H30N4O2/c1-25(21(17-28-2)20-12-6-7-13-23-20)22(27)24-19-11-5-4-10-18(19)16-26-14-8-3-9-15-26/h4-7,10-13,21H,3,8-9,14-17H2,1-2H3,(H,24,27)
InChIKeyLBRRHZTUTXLMOB-UHFFFAOYSA-N
MW382.51 g/mol
LogP3.92
Rot. Bonds7

About 1-(2-methoxy-1-pyridin-2-ylethyl)-1-methyl-3-[2-(piperidin-1-ylmethyl)phenyl]urea

1-(2-methoxy-1-pyridin-2-ylethyl)-1-methyl-3-[2-(piperidin-1-ylmethyl)phenyl]urea (PubChem CID 72899411) has the molecular formula C22H30N4O2 and a molecular weight of 382.51 g/mol. Its IUPAC name is 1-(2-methoxy-1-pyridin-2-ylethyl)-1-methyl-3-[2-(piperidin-1-ylmethyl)phenyl]urea.

Molecular Properties

Compound Name1-(2-methoxy-1-pyridin-2-ylethyl)-1-methyl-3-[2-(piperidin-1-ylmethyl)phenyl]urea
PubChem CID72899411
Molecular FormulaC22H30N4O2
Molecular Weight382.51 g/mol
Exact Mass382.24
IUPAC Name1-(2-methoxy-1-pyridin-2-ylethyl)-1-methyl-3-[2-(piperidin-1-ylmethyl)phenyl]urea
SMILESCOCC(c1ccccn1)N(C)C(=O)Nc1ccccc1CN1CCCCC1
InChIInChI=1S/C22H30N4O2/c1-25(21(17-28-2)20-12-6-7-13-23-20)22(27)24-19-11-5-4-10-18(19)16-26-14-8-3-9-15-26/h4-7,10-13,21H,3,8-9,14-17H2,1-2H3,(H,24,27)
InChIKeyLBRRHZTUTXLMOB-UHFFFAOYSA-N
XLogP3.92
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.51
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(2-methoxy-1-pyridin-2-ylethyl)-1-methyl-3-[2-(piperidin-1-ylmethyl)phenyl]urea with MolForge

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Related Compounds

1-[(1R)-2-methoxy-1-pyridin-2-ylethyl]-1-methyl-3-(2-propylphenyl)urea
CID 97453326
1-(2-methoxy-1-pyridin-2-ylethyl)-1-methyl-3-[4-(2-oxopyrrolidin-1-yl)phenyl]urea
CID 118791683
3-(6-chloro-2-methyl-3-pyridinyl)-1-[(1S)-2-methoxy-1-pyridin-2-ylethyl]-1-methylurea
CID 125159367
3-[[4-(azepan-1-ylmethyl)phenyl]methyl]-1-methyl-1-(1-pyridin-2-ylethyl)urea
CID 86867437
2-(azepan-1-yl)-N-[(1R)-2-methoxy-1-pyridin-2-ylethyl]acetamide
CID 125437016
(2S)-N-[2-(piperidin-1-ylmethyl)phenyl]-2-pyridin-2-ylpyrrolidine-1-carboxamide
CID 97278774
N-cyclooctyl-2-[[(1S)-2-methoxy-1-pyridin-2-ylethyl]-methylamino]acetamide
CID 95136390
N-[2-(pyrrolidin-1-ylmethyl)phenyl]imidazole-1-carboxamide
CID 81257336
N-[(1R)-2-methoxy-1-pyridin-2-ylethyl]-N-methyl-2-phenylpyrimidine-5-carboxamide
CID 95123486
2-[[(1R)-2-methoxy-1-pyridin-2-ylethyl]-methylamino]-1-morpholin-4-ylethanone
CID 124848970
1-pentan-3-yl-N-[2-(pyrrolidin-1-ylmethyl)phenyl]pyrazole-3-carboxamide
CID 75385005
N-[2-(piperidin-1-ylmethyl)phenyl]prop-2-enamide
CID 139018823

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxy-1-pyridin-2-ylethyl)-1-methyl-3-[2-(piperidin-1-ylmethyl)phenyl]urea?
The IUPAC name of 1-(2-methoxy-1-pyridin-2-ylethyl)-1-methyl-3-[2-(piperidin-1-ylmethyl)phenyl]urea (CID 72899411) is 1-(2-methoxy-1-pyridin-2-ylethyl)-1-methyl-3-[2-(piperidin-1-ylmethyl)phenyl]urea.
What is the SMILES notation for 1-(2-methoxy-1-pyridin-2-ylethyl)-1-methyl-3-[2-(piperidin-1-ylmethyl)phenyl]urea?
The canonical SMILES for 1-(2-methoxy-1-pyridin-2-ylethyl)-1-methyl-3-[2-(piperidin-1-ylmethyl)phenyl]urea is COCC(c1ccccn1)N(C)C(=O)Nc1ccccc1CN1CCCCC1.
What is the InChIKey of 1-(2-methoxy-1-pyridin-2-ylethyl)-1-methyl-3-[2-(piperidin-1-ylmethyl)phenyl]urea?
The InChIKey is LBRRHZTUTXLMOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N4O2/c1-25(21(17-28-2)20-12-6-7-13-23-20)22(27)24-19-11-5-4-10-18(19)16-26-14-8-3-9-15-26/h4-7,10-13,21H,3,8-9,14-17H2,1-2H3,(H,24,27).
What are the key properties of 1-(2-methoxy-1-pyridin-2-ylethyl)-1-methyl-3-[2-(piperidin-1-ylmethyl)phenyl]urea?
1-(2-methoxy-1-pyridin-2-ylethyl)-1-methyl-3-[2-(piperidin-1-ylmethyl)phenyl]urea has a molecular weight of 382.51 g/mol, XLogP of 3.92, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxy-1-pyridin-2-ylethyl)-1-methyl-3-[2-(piperidin-1-ylmethyl)phenyl]urea is sourced from PubChem (CID 72899411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).