1-[[1-[(5-chloro-2-methoxyphenyl)methyl]piperidin-4-yl]methyl]-3-(3-chlorophenyl)urea

C21H25Cl2N3O2 — CID 1259121

IUPAC1-[[1-[(5-chloro-2-methoxyphenyl)methyl]piperidin-4-yl]methyl]-3-(3-chlorophenyl)urea
SMILESCOc1ccc(Cl)cc1CN1CCC(CNC(=O)Nc2cccc(Cl)c2)CC1
InChIInChI=1S/C21H25Cl2N3O2/c1-28-20-6-5-18(23)11-16(20)14-26-9-7-15(8-10-26)13-24-21(27)25-19-4-2-3-17(22)12-19/h2-6,11-12,15H,7-10,13-14H2,1H3,(H2,24,25,27)
InChIKeyGMDNRMMSOLFPNJ-UHFFFAOYSA-N
MW422.36 g/mol
LogP5.04
Rot. Bonds6

About 1-[[1-[(5-chloro-2-methoxyphenyl)methyl]piperidin-4-yl]methyl]-3-(3-chlorophenyl)urea

1-[[1-[(5-chloro-2-methoxyphenyl)methyl]piperidin-4-yl]methyl]-3-(3-chlorophenyl)urea (PubChem CID 1259121) has the molecular formula C21H25Cl2N3O2 and a molecular weight of 422.36 g/mol. Its IUPAC name is 1-[[1-[(5-chloro-2-methoxyphenyl)methyl]piperidin-4-yl]methyl]-3-(3-chlorophenyl)urea.

Molecular Properties

Compound Name1-[[1-[(5-chloro-2-methoxyphenyl)methyl]piperidin-4-yl]methyl]-3-(3-chlorophenyl)urea
PubChem CID1259121
Molecular FormulaC21H25Cl2N3O2
Molecular Weight422.36 g/mol
Exact Mass421.13
IUPAC Name1-[[1-[(5-chloro-2-methoxyphenyl)methyl]piperidin-4-yl]methyl]-3-(3-chlorophenyl)urea
SMILESCOc1ccc(Cl)cc1CN1CCC(CNC(=O)Nc2cccc(Cl)c2)CC1
InChIInChI=1S/C21H25Cl2N3O2/c1-28-20-6-5-18(23)11-16(20)14-26-9-7-15(8-10-26)13-24-21(27)25-19-4-2-3-17(22)12-19/h2-6,11-12,15H,7-10,13-14H2,1H3,(H2,24,25,27)
InChIKeyGMDNRMMSOLFPNJ-UHFFFAOYSA-N
XLogP5.04
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.36
LogP ≤ 55.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[[1-[(5-chloro-2-methoxyphenyl)methyl]piperidin-4-yl]methyl]-3-(3-chlorophenyl)urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(3-chlorophenyl)-3-(cyclopentylmethyl)urea
CID 38887276
1-[(5-chloro-2-methoxyphenyl)methyl]piperidine-4-carboxamide
CID 9443435
1-[[1-[(3-chlorophenyl)methyl]piperidin-4-yl]methyl]-3-(4-ethylphenyl)urea
CID 22430384
1-[[1-[(3-chlorophenyl)methyl]piperidin-4-yl]methyl]-3-[3-(trifluoromethyl)phenyl]urea
CID 23609211
1-(3-chlorophenyl)-3-[(4-hydroxycyclohexyl)methyl]urea
CID 106124989
1-[(5-chloro-2-methoxyphenyl)methyl]piperidin-4-amine
CID 12641842
4-[(5-chloro-2-methoxyphenyl)methyl]-N-(3-fluorophenyl)piperazine-1-carboxamide
CID 17148906
1-(3,4-dimethylphenyl)-3-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]urea
CID 22430495
4-[(5-chloro-2-methoxyphenyl)methyl]-N-(3-methylsulfanylphenyl)piperazine-1-carboxamide
CID 17148903
1-(3-chlorophenyl)-3-[(2-methoxyphenyl)methyl]urea
CID 976862
1-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]methyl]-3-(3,5-dimethylphenyl)urea
CID 22430442
1-[1-[(5-chloro-2-methoxyphenyl)methyl]pyrrolidin-3-yl]-N-methylmethanamine;hydrochloride
CID 119922028

Frequently Asked Questions

What is the IUPAC name of 1-[[1-[(5-chloro-2-methoxyphenyl)methyl]piperidin-4-yl]methyl]-3-(3-chlorophenyl)urea?
The IUPAC name of 1-[[1-[(5-chloro-2-methoxyphenyl)methyl]piperidin-4-yl]methyl]-3-(3-chlorophenyl)urea (CID 1259121) is 1-[[1-[(5-chloro-2-methoxyphenyl)methyl]piperidin-4-yl]methyl]-3-(3-chlorophenyl)urea.
What is the SMILES notation for 1-[[1-[(5-chloro-2-methoxyphenyl)methyl]piperidin-4-yl]methyl]-3-(3-chlorophenyl)urea?
The canonical SMILES for 1-[[1-[(5-chloro-2-methoxyphenyl)methyl]piperidin-4-yl]methyl]-3-(3-chlorophenyl)urea is COc1ccc(Cl)cc1CN1CCC(CNC(=O)Nc2cccc(Cl)c2)CC1.
What is the InChIKey of 1-[[1-[(5-chloro-2-methoxyphenyl)methyl]piperidin-4-yl]methyl]-3-(3-chlorophenyl)urea?
The InChIKey is GMDNRMMSOLFPNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25Cl2N3O2/c1-28-20-6-5-18(23)11-16(20)14-26-9-7-15(8-10-26)13-24-21(27)25-19-4-2-3-17(22)12-19/h2-6,11-12,15H,7-10,13-14H2,1H3,(H2,24,25,27).
What are the key properties of 1-[[1-[(5-chloro-2-methoxyphenyl)methyl]piperidin-4-yl]methyl]-3-(3-chlorophenyl)urea?
1-[[1-[(5-chloro-2-methoxyphenyl)methyl]piperidin-4-yl]methyl]-3-(3-chlorophenyl)urea has a molecular weight of 422.36 g/mol, XLogP of 5.04, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-[(5-chloro-2-methoxyphenyl)methyl]piperidin-4-yl]methyl]-3-(3-chlorophenyl)urea is sourced from PubChem (CID 1259121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).