1-[(1-benzylazetidin-2-yl)methyl]-3-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]urea

C21H34N4O2 — CID 166243003

IUPAC1-[(1-benzylazetidin-2-yl)methyl]-3-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]urea
SMILESCOCCN1CCC(CNC(=O)NCC2CCN2Cc2ccccc2)CC1
InChIInChI=1S/C21H34N4O2/c1-27-14-13-24-10-7-18(8-11-24)15-22-21(26)23-16-20-9-12-25(20)17-19-5-3-2-4-6-19/h2-6,18,20H,7-17H2,1H3,(H2,22,23,26)
InChIKeyYUMZIMCIMZPTAF-UHFFFAOYSA-N
MW374.53 g/mol
LogP1.92
Rot. Bonds9

About 1-[(1-benzylazetidin-2-yl)methyl]-3-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]urea

1-[(1-benzylazetidin-2-yl)methyl]-3-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]urea (PubChem CID 166243003) has the molecular formula C21H34N4O2 and a molecular weight of 374.53 g/mol. Its IUPAC name is 1-[(1-benzylazetidin-2-yl)methyl]-3-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]urea.

Molecular Properties

Compound Name1-[(1-benzylazetidin-2-yl)methyl]-3-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]urea
PubChem CID166243003
Molecular FormulaC21H34N4O2
Molecular Weight374.53 g/mol
Exact Mass374.27
IUPAC Name1-[(1-benzylazetidin-2-yl)methyl]-3-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]urea
SMILESCOCCN1CCC(CNC(=O)NCC2CCN2Cc2ccccc2)CC1
InChIInChI=1S/C21H34N4O2/c1-27-14-13-24-10-7-18(8-11-24)15-22-21(26)23-16-20-9-12-25(20)17-19-5-3-2-4-6-19/h2-6,18,20H,7-17H2,1H3,(H2,22,23,26)
InChIKeyYUMZIMCIMZPTAF-UHFFFAOYSA-N
XLogP1.92
TPSA56.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.53
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[(1-benzylazetidin-2-yl)methyl]-3-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]urea with MolForge

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Related Compounds

1-[(1-benzylpiperidin-4-yl)methyl]-3-(3-methoxypropyl)urea
CID 47874249
(2R)-2-methoxy-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-2-phenylacetamide
CID 97062875
N-[(1-benzylpiperidin-2-yl)methyl]-2-(2-methoxyethylamino)acetamide;dihydrochloride
CID 119861781
4-benzyl-N-[[(3R)-1-(2-methoxyethyl)piperidin-3-yl]methyl]piperidine-1-carboxamide
CID 126433119
3-chloro-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-1H-indole-2-carboxamide
CID 71879951
N-[(1-benzylpiperidin-4-yl)methyl]-1-(2-methoxyethyl)-6-oxopiperidine-3-carboxamide
CID 45248237
(3S)-N-[(1-benzylpiperidin-4-yl)methyl]-1-(2-methoxyethyl)-6-oxopiperidine-3-carboxamide
CID 26399073
N-[[(3S)-1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-4-(2-phenylethyl)piperidine-1-carboxamide
CID 126449856
1-(1-benzyl-2-methylpiperidin-4-yl)-3-ethyl-2-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]guanidine;hydroiodide
CID 109459403
1,3-bis[(1-benzyl-5-methylpyrrolidin-3-yl)methyl]urea
CID 166232254
4-methoxy-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]benzamide
CID 16895498
4-bromo-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]benzamide
CID 16895556

Frequently Asked Questions

What is the IUPAC name of 1-[(1-benzylazetidin-2-yl)methyl]-3-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]urea?
The IUPAC name of 1-[(1-benzylazetidin-2-yl)methyl]-3-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]urea (CID 166243003) is 1-[(1-benzylazetidin-2-yl)methyl]-3-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]urea.
What is the SMILES notation for 1-[(1-benzylazetidin-2-yl)methyl]-3-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]urea?
The canonical SMILES for 1-[(1-benzylazetidin-2-yl)methyl]-3-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]urea is COCCN1CCC(CNC(=O)NCC2CCN2Cc2ccccc2)CC1.
What is the InChIKey of 1-[(1-benzylazetidin-2-yl)methyl]-3-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]urea?
The InChIKey is YUMZIMCIMZPTAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H34N4O2/c1-27-14-13-24-10-7-18(8-11-24)15-22-21(26)23-16-20-9-12-25(20)17-19-5-3-2-4-6-19/h2-6,18,20H,7-17H2,1H3,(H2,22,23,26).
What are the key properties of 1-[(1-benzylazetidin-2-yl)methyl]-3-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]urea?
1-[(1-benzylazetidin-2-yl)methyl]-3-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]urea has a molecular weight of 374.53 g/mol, XLogP of 1.92, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-benzylazetidin-2-yl)methyl]-3-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]urea is sourced from PubChem (CID 166243003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).