3-(4-methoxyphenyl)-1-methyl-1-(piperidin-2-ylmethyl)urea

C15H23N3O2 — CID 106629798

IUPAC3-(4-methoxyphenyl)-1-methyl-1-(piperidin-2-ylmethyl)urea
SMILESCOc1ccc(NC(=O)N(C)CC2CCCCN2)cc1
InChIInChI=1S/C15H23N3O2/c1-18(11-13-5-3-4-10-16-13)15(19)17-12-6-8-14(20-2)9-7-12/h6-9,13,16H,3-5,10-11H2,1-2H3,(H,17,19)
InChIKeyQJQLKBLYPAYFRQ-UHFFFAOYSA-N
MW277.37 g/mol
LogP2.30
Rot. Bonds4

About 3-(4-methoxyphenyl)-1-methyl-1-(piperidin-2-ylmethyl)urea

3-(4-methoxyphenyl)-1-methyl-1-(piperidin-2-ylmethyl)urea (PubChem CID 106629798) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-1-methyl-1-(piperidin-2-ylmethyl)urea.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-1-methyl-1-(piperidin-2-ylmethyl)urea
PubChem CID106629798
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC Name3-(4-methoxyphenyl)-1-methyl-1-(piperidin-2-ylmethyl)urea
SMILESCOc1ccc(NC(=O)N(C)CC2CCCCN2)cc1
InChIInChI=1S/C15H23N3O2/c1-18(11-13-5-3-4-10-16-13)15(19)17-12-6-8-14(20-2)9-7-12/h6-9,13,16H,3-5,10-11H2,1-2H3,(H,17,19)
InChIKeyQJQLKBLYPAYFRQ-UHFFFAOYSA-N
XLogP2.30
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-fluorophenyl)-1-methyl-1-(piperidin-2-ylmethyl)urea
CID 106629819
2-(4-methoxyphenyl)-N-methyl-N-(piperidin-2-ylmethyl)acetamide
CID 106627189
3-(3-chlorophenyl)-1-methyl-1-(piperidin-2-ylmethyl)urea
CID 106629815
1-(4-methoxyphenyl)-3-(2-piperidin-2-ylethyl)urea
CID 24703297
N-cyclopropyl-4-methoxy-N-(pyrrolidin-2-ylmethyl)benzamide
CID 104974197
N-(4-methoxyphenyl)piperidine-2-carboxamide;hydrochloride
CID 56832268
1-methyl-3-naphthalen-1-yl-1-(pyrrolidin-2-ylmethyl)urea
CID 106613136
N-(3-methoxyphenyl)-2-[methyl(piperidin-2-ylmethyl)amino]acetamide
CID 106635727
N-[(4-methoxyphenyl)methyl]-N-methyl-3-piperidin-2-ylpropanamide
CID 62211595
3-tert-butyl-1-methyl-1-(piperidin-2-ylmethyl)urea
CID 106629792
2-fluoro-4-methoxy-N-methyl-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106607793
N-(2-hydroxyethyl)-2-(4-methoxyphenyl)-N-(pyrrolidin-2-ylmethyl)acetamide
CID 106612506

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)-1-methyl-1-(piperidin-2-ylmethyl)urea?
The IUPAC name of 3-(4-methoxyphenyl)-1-methyl-1-(piperidin-2-ylmethyl)urea (CID 106629798) is 3-(4-methoxyphenyl)-1-methyl-1-(piperidin-2-ylmethyl)urea.
What is the SMILES notation for 3-(4-methoxyphenyl)-1-methyl-1-(piperidin-2-ylmethyl)urea?
The canonical SMILES for 3-(4-methoxyphenyl)-1-methyl-1-(piperidin-2-ylmethyl)urea is COc1ccc(NC(=O)N(C)CC2CCCCN2)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)-1-methyl-1-(piperidin-2-ylmethyl)urea?
The InChIKey is QJQLKBLYPAYFRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-18(11-13-5-3-4-10-16-13)15(19)17-12-6-8-14(20-2)9-7-12/h6-9,13,16H,3-5,10-11H2,1-2H3,(H,17,19).
What are the key properties of 3-(4-methoxyphenyl)-1-methyl-1-(piperidin-2-ylmethyl)urea?
3-(4-methoxyphenyl)-1-methyl-1-(piperidin-2-ylmethyl)urea has a molecular weight of 277.37 g/mol, XLogP of 2.30, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)-1-methyl-1-(piperidin-2-ylmethyl)urea is sourced from PubChem (CID 106629798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).