1-[(1,4-dimethylpiperidin-4-yl)methyl]-3-[3-(2-methoxyethoxymethyl)phenyl]urea

C19H31N3O3 — CID 166206040

IUPAC1-[(1,4-dimethylpiperidin-4-yl)methyl]-3-[3-(2-methoxyethoxymethyl)phenyl]urea
SMILESCOCCOCc1cccc(NC(=O)NCC2(C)CCN(C)CC2)c1
InChIInChI=1S/C19H31N3O3/c1-19(7-9-22(2)10-8-19)15-20-18(23)21-17-6-4-5-16(13-17)14-25-12-11-24-3/h4-6,13H,7-12,14-15H2,1-3H3,(H2,20,21,23)
InChIKeyQXNJJTBHLCENIZ-UHFFFAOYSA-N
MW349.48 g/mol
LogP2.70
Rot. Bonds8

About 1-[(1,4-dimethylpiperidin-4-yl)methyl]-3-[3-(2-methoxyethoxymethyl)phenyl]urea

1-[(1,4-dimethylpiperidin-4-yl)methyl]-3-[3-(2-methoxyethoxymethyl)phenyl]urea (PubChem CID 166206040) has the molecular formula C19H31N3O3 and a molecular weight of 349.48 g/mol. Its IUPAC name is 1-[(1,4-dimethylpiperidin-4-yl)methyl]-3-[3-(2-methoxyethoxymethyl)phenyl]urea.

Molecular Properties

Compound Name1-[(1,4-dimethylpiperidin-4-yl)methyl]-3-[3-(2-methoxyethoxymethyl)phenyl]urea
PubChem CID166206040
Molecular FormulaC19H31N3O3
Molecular Weight349.48 g/mol
Exact Mass349.24
IUPAC Name1-[(1,4-dimethylpiperidin-4-yl)methyl]-3-[3-(2-methoxyethoxymethyl)phenyl]urea
SMILESCOCCOCc1cccc(NC(=O)NCC2(C)CCN(C)CC2)c1
InChIInChI=1S/C19H31N3O3/c1-19(7-9-22(2)10-8-19)15-20-18(23)21-17-6-4-5-16(13-17)14-25-12-11-24-3/h4-6,13H,7-12,14-15H2,1-3H3,(H2,20,21,23)
InChIKeyQXNJJTBHLCENIZ-UHFFFAOYSA-N
XLogP2.70
TPSA62.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.48
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[[2-(dimethylamino)-3-pyridinyl]methyl]-3-[3-(2-methoxyethoxymethyl)phenyl]urea
CID 55820188
2-(3-aminophenyl)-N-[(1,4-dimethylpiperidin-4-yl)methyl]acetamide
CID 107162880
N-[3-(2-methoxyethoxymethyl)phenyl]-4-phenylpiperazine-1-carboxamide
CID 51118836
1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-3-[3-(2-methoxyethoxymethyl)phenyl]urea
CID 51118838
N-[3-(2-methoxyethoxymethyl)phenyl]-3-(propan-2-ylamino)propanamide
CID 60927722
4-(methoxymethyl)-N-[3-(2-propan-2-yloxyethoxymethyl)phenyl]piperidine-4-carboxamide
CID 120626246
3-amino-2-methoxy-N-[3-(2-methoxyethoxymethyl)phenyl]propanamide
CID 106111842
1,3-bis(2-methoxyethoxymethyl)benzene
CID 14086847
1-[(1,3-dimethylpyrrolidin-3-yl)methyl]-3-(2-phenyl-4-pyridinyl)urea
CID 167775883
N-[3-(ethoxymethyl)phenyl]-4-(methoxymethyl)piperidine-4-carboxamide
CID 120630241
N-cyclopropyl-3-(2-methoxyethoxymethyl)aniline
CID 103439171
1-[3-(methoxymethyl)phenyl]-3-(2,2,2-trifluoroethyl)urea
CID 113224218

Frequently Asked Questions

What is the IUPAC name of 1-[(1,4-dimethylpiperidin-4-yl)methyl]-3-[3-(2-methoxyethoxymethyl)phenyl]urea?
The IUPAC name of 1-[(1,4-dimethylpiperidin-4-yl)methyl]-3-[3-(2-methoxyethoxymethyl)phenyl]urea (CID 166206040) is 1-[(1,4-dimethylpiperidin-4-yl)methyl]-3-[3-(2-methoxyethoxymethyl)phenyl]urea.
What is the SMILES notation for 1-[(1,4-dimethylpiperidin-4-yl)methyl]-3-[3-(2-methoxyethoxymethyl)phenyl]urea?
The canonical SMILES for 1-[(1,4-dimethylpiperidin-4-yl)methyl]-3-[3-(2-methoxyethoxymethyl)phenyl]urea is COCCOCc1cccc(NC(=O)NCC2(C)CCN(C)CC2)c1.
What is the InChIKey of 1-[(1,4-dimethylpiperidin-4-yl)methyl]-3-[3-(2-methoxyethoxymethyl)phenyl]urea?
The InChIKey is QXNJJTBHLCENIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N3O3/c1-19(7-9-22(2)10-8-19)15-20-18(23)21-17-6-4-5-16(13-17)14-25-12-11-24-3/h4-6,13H,7-12,14-15H2,1-3H3,(H2,20,21,23).
What are the key properties of 1-[(1,4-dimethylpiperidin-4-yl)methyl]-3-[3-(2-methoxyethoxymethyl)phenyl]urea?
1-[(1,4-dimethylpiperidin-4-yl)methyl]-3-[3-(2-methoxyethoxymethyl)phenyl]urea has a molecular weight of 349.48 g/mol, XLogP of 2.70, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1,4-dimethylpiperidin-4-yl)methyl]-3-[3-(2-methoxyethoxymethyl)phenyl]urea is sourced from PubChem (CID 166206040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).