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

C15H22ClN3O2 — CID 166237713

IUPAC1-[(4-chloro-2-methoxyphenyl)methyl]-3-(piperidin-4-ylmethyl)urea
SMILESCOc1cc(Cl)ccc1CNC(=O)NCC1CCNCC1
InChIInChI=1S/C15H22ClN3O2/c1-21-14-8-13(16)3-2-12(14)10-19-15(20)18-9-11-4-6-17-7-5-11/h2-3,8,11,17H,4-7,9-10H2,1H3,(H2,18,19,20)
InChIKeySKAXATJYQXBFPE-UHFFFAOYSA-N
MW311.81 g/mol
LogP2.15
Rot. Bonds5

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

1-[(4-chloro-2-methoxyphenyl)methyl]-3-(piperidin-4-ylmethyl)urea (PubChem CID 166237713) has the molecular formula C15H22ClN3O2 and a molecular weight of 311.81 g/mol. Its IUPAC name is 1-[(4-chloro-2-methoxyphenyl)methyl]-3-(piperidin-4-ylmethyl)urea.

Molecular Properties

Compound Name1-[(4-chloro-2-methoxyphenyl)methyl]-3-(piperidin-4-ylmethyl)urea
PubChem CID166237713
Molecular FormulaC15H22ClN3O2
Molecular Weight311.81 g/mol
Exact Mass311.14
IUPAC Name1-[(4-chloro-2-methoxyphenyl)methyl]-3-(piperidin-4-ylmethyl)urea
SMILESCOc1cc(Cl)ccc1CNC(=O)NCC1CCNCC1
InChIInChI=1S/C15H22ClN3O2/c1-21-14-8-13(16)3-2-12(14)10-19-15(20)18-9-11-4-6-17-7-5-11/h2-3,8,11,17H,4-7,9-10H2,1H3,(H2,18,19,20)
InChIKeySKAXATJYQXBFPE-UHFFFAOYSA-N
XLogP2.15
TPSA62.39 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.81
LogP ≤ 52.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(4-chloro-2-methoxyphenyl)methyl]piperidine
CID 84800099
N-[[4-chloro-2-(2-methoxyethoxy)phenyl]methyl]-1-piperidin-4-ylmethanamine;ethane
CID 171620367
(2S,4S)-N-[(4-chloro-2-methoxyphenyl)methyl]-2-methylpiperidine-4-carboxamide
CID 120631755
N-[(4-chloro-2-ethoxyphenyl)methyl]-1-piperidin-4-ylmethanamine
CID 171620321
N-[(2,4-dimethoxyphenyl)methyl]-2-piperidin-4-ylacetamide
CID 63362840
1-[(4-chloro-2-methoxyphenyl)methyl]-3-[(3S)-1,1-dioxothiolan-3-yl]urea
CID 95334613
1-amino-N-[(4-chloro-2-methoxyphenyl)methyl]cyclopropane-1-carboxamide;hydrochloride
CID 119779146
N-[(4-chloro-2-methoxyphenyl)methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120931808
N-[(4,5-dichloro-2-methoxyphenyl)methyl]piperidine-4-carboxamide
CID 158921013
1-(naphthalen-1-ylmethyl)-3-(piperidin-4-ylmethyl)urea
CID 22719668
2-(5-chloro-2-methoxyphenyl)-N-(2-pyrrolidin-3-ylethyl)acetamide;hydrochloride
CID 119533390
N-[(2,4-dichlorophenyl)methyl]piperidine-4-carboxamide;hydrochloride
CID 119263502

Frequently Asked Questions

What is the IUPAC name of 1-[(4-chloro-2-methoxyphenyl)methyl]-3-(piperidin-4-ylmethyl)urea?
The IUPAC name of 1-[(4-chloro-2-methoxyphenyl)methyl]-3-(piperidin-4-ylmethyl)urea (CID 166237713) is 1-[(4-chloro-2-methoxyphenyl)methyl]-3-(piperidin-4-ylmethyl)urea.
What is the SMILES notation for 1-[(4-chloro-2-methoxyphenyl)methyl]-3-(piperidin-4-ylmethyl)urea?
The canonical SMILES for 1-[(4-chloro-2-methoxyphenyl)methyl]-3-(piperidin-4-ylmethyl)urea is COc1cc(Cl)ccc1CNC(=O)NCC1CCNCC1.
What is the InChIKey of 1-[(4-chloro-2-methoxyphenyl)methyl]-3-(piperidin-4-ylmethyl)urea?
The InChIKey is SKAXATJYQXBFPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClN3O2/c1-21-14-8-13(16)3-2-12(14)10-19-15(20)18-9-11-4-6-17-7-5-11/h2-3,8,11,17H,4-7,9-10H2,1H3,(H2,18,19,20).
What are the key properties of 1-[(4-chloro-2-methoxyphenyl)methyl]-3-(piperidin-4-ylmethyl)urea?
1-[(4-chloro-2-methoxyphenyl)methyl]-3-(piperidin-4-ylmethyl)urea has a molecular weight of 311.81 g/mol, XLogP of 2.15, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chloro-2-methoxyphenyl)methyl]-3-(piperidin-4-ylmethyl)urea is sourced from PubChem (CID 166237713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).