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

C20H26ClN3O2 — CID 72913939

IUPAC1-(4-chloronaphthalen-1-yl)-3-[[1-(2-methoxyethyl)piperidin-3-yl]methyl]urea
SMILESCOCCN1CCCC(CNC(=O)Nc2ccc(Cl)c3ccccc23)C1
InChIInChI=1S/C20H26ClN3O2/c1-26-12-11-24-10-4-5-15(14-24)13-22-20(25)23-19-9-8-18(21)16-6-2-3-7-17(16)19/h2-3,6-9,15H,4-5,10-14H2,1H3,(H2,22,23,25)
InChIKeyRDEMHKQBXPKNHQ-UHFFFAOYSA-N
MW375.90 g/mol
LogP3.97
Rot. Bonds6

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

1-(4-chloronaphthalen-1-yl)-3-[[1-(2-methoxyethyl)piperidin-3-yl]methyl]urea (PubChem CID 72913939) has the molecular formula C20H26ClN3O2 and a molecular weight of 375.90 g/mol. Its IUPAC name is 1-(4-chloronaphthalen-1-yl)-3-[[1-(2-methoxyethyl)piperidin-3-yl]methyl]urea.

Molecular Properties

Compound Name1-(4-chloronaphthalen-1-yl)-3-[[1-(2-methoxyethyl)piperidin-3-yl]methyl]urea
PubChem CID72913939
Molecular FormulaC20H26ClN3O2
Molecular Weight375.90 g/mol
Exact Mass375.17
IUPAC Name1-(4-chloronaphthalen-1-yl)-3-[[1-(2-methoxyethyl)piperidin-3-yl]methyl]urea
SMILESCOCCN1CCCC(CNC(=O)Nc2ccc(Cl)c3ccccc23)C1
InChIInChI=1S/C20H26ClN3O2/c1-26-12-11-24-10-4-5-15(14-24)13-22-20(25)23-19-9-8-18(21)16-6-2-3-7-17(16)19/h2-3,6-9,15H,4-5,10-14H2,1H3,(H2,22,23,25)
InChIKeyRDEMHKQBXPKNHQ-UHFFFAOYSA-N
XLogP3.97
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.90
LogP ≤ 53.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

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Related Compounds

2-acetyl-N-[[(3R)-1-(2-methoxyethyl)piperidin-3-yl]methyl]benzamide
CID 124758814
4-benzyl-N-[[(3R)-1-(2-methoxyethyl)piperidin-3-yl]methyl]piperidine-1-carboxamide
CID 126433119
(2S)-2-(2-chlorophenoxy)-N-[[(3S)-1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]propanamide
CID 95161197
(2R)-2-(2-chlorophenoxy)-N-[[(3S)-1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]propanamide
CID 95161198
N-[[(3S)-1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-2-(methoxymethyl)benzamide
CID 95238690
N-[[(3S)-1-(2-methoxyethyl)piperidin-3-yl]methyl]-3-(4-methylphenyl)benzamide
CID 125176783
1-(2,6-dimethyl-3-pyridinyl)-3-[[(3S)-1-(3-methoxypropyl)pyrrolidin-3-yl]methyl]urea
CID 97456473
4-fluoro-2-hydroxy-N-[[(3R)-1-(2-methoxyethyl)piperidin-3-yl]methyl]benzamide
CID 125166360
1-[1-(2-methoxyethyl)pyrazol-3-yl]-3-[(1-phenylpiperidin-3-yl)methyl]urea
CID 136537851
1-[[(3S)-1-(3-methoxypropyl)pyrrolidin-3-yl]methyl]-3-(2-methyl-3-pyrrolidin-1-ylphenyl)urea
CID 97437150
1-[1-[2-(2,6-dichlorophenoxy)ethyl]piperidin-3-yl]-N-methylmethanamine
CID 61203648
1-[(1-benzylpiperidin-3-yl)methyl]-3-phenylurea
CID 47081886

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloronaphthalen-1-yl)-3-[[1-(2-methoxyethyl)piperidin-3-yl]methyl]urea?
The IUPAC name of 1-(4-chloronaphthalen-1-yl)-3-[[1-(2-methoxyethyl)piperidin-3-yl]methyl]urea (CID 72913939) is 1-(4-chloronaphthalen-1-yl)-3-[[1-(2-methoxyethyl)piperidin-3-yl]methyl]urea.
What is the SMILES notation for 1-(4-chloronaphthalen-1-yl)-3-[[1-(2-methoxyethyl)piperidin-3-yl]methyl]urea?
The canonical SMILES for 1-(4-chloronaphthalen-1-yl)-3-[[1-(2-methoxyethyl)piperidin-3-yl]methyl]urea is COCCN1CCCC(CNC(=O)Nc2ccc(Cl)c3ccccc23)C1.
What is the InChIKey of 1-(4-chloronaphthalen-1-yl)-3-[[1-(2-methoxyethyl)piperidin-3-yl]methyl]urea?
The InChIKey is RDEMHKQBXPKNHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26ClN3O2/c1-26-12-11-24-10-4-5-15(14-24)13-22-20(25)23-19-9-8-18(21)16-6-2-3-7-17(16)19/h2-3,6-9,15H,4-5,10-14H2,1H3,(H2,22,23,25).
What are the key properties of 1-(4-chloronaphthalen-1-yl)-3-[[1-(2-methoxyethyl)piperidin-3-yl]methyl]urea?
1-(4-chloronaphthalen-1-yl)-3-[[1-(2-methoxyethyl)piperidin-3-yl]methyl]urea has a molecular weight of 375.90 g/mol, XLogP of 3.97, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloronaphthalen-1-yl)-3-[[1-(2-methoxyethyl)piperidin-3-yl]methyl]urea is sourced from PubChem (CID 72913939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).