1-[(2-chlorophenyl)methyl]-3-[2-(2,3-dichlorophenyl)propyl]-1-(1-methylpiperidin-4-yl)urea

C23H28Cl3N3O — CID 126763051

IUPAC1-[(2-chlorophenyl)methyl]-3-[2-(2,3-dichlorophenyl)propyl]-1-(1-methylpiperidin-4-yl)urea
SMILESCC(CNC(=O)N(Cc1ccccc1Cl)C1CCN(C)CC1)c1cccc(Cl)c1Cl
InChIInChI=1S/C23H28Cl3N3O/c1-16(19-7-5-9-21(25)22(19)26)14-27-23(30)29(18-10-12-28(2)13-11-18)15-17-6-3-4-8-20(17)24/h3-9,16,18H,10-15H2,1-2H3,(H,27,30)
InChIKeyMMOWXXRAYLPHMM-UHFFFAOYSA-N
MW468.86 g/mol
LogP6.06
Rot. Bonds6

About 1-[(2-chlorophenyl)methyl]-3-[2-(2,3-dichlorophenyl)propyl]-1-(1-methylpiperidin-4-yl)urea

1-[(2-chlorophenyl)methyl]-3-[2-(2,3-dichlorophenyl)propyl]-1-(1-methylpiperidin-4-yl)urea (PubChem CID 126763051) has the molecular formula C23H28Cl3N3O and a molecular weight of 468.86 g/mol. Its IUPAC name is 1-[(2-chlorophenyl)methyl]-3-[2-(2,3-dichlorophenyl)propyl]-1-(1-methylpiperidin-4-yl)urea.

Molecular Properties

Compound Name1-[(2-chlorophenyl)methyl]-3-[2-(2,3-dichlorophenyl)propyl]-1-(1-methylpiperidin-4-yl)urea
PubChem CID126763051
Molecular FormulaC23H28Cl3N3O
Molecular Weight468.86 g/mol
Exact Mass467.13
IUPAC Name1-[(2-chlorophenyl)methyl]-3-[2-(2,3-dichlorophenyl)propyl]-1-(1-methylpiperidin-4-yl)urea
SMILESCC(CNC(=O)N(Cc1ccccc1Cl)C1CCN(C)CC1)c1cccc(Cl)c1Cl
InChIInChI=1S/C23H28Cl3N3O/c1-16(19-7-5-9-21(25)22(19)26)14-27-23(30)29(18-10-12-28(2)13-11-18)15-17-6-3-4-8-20(17)24/h3-9,16,18H,10-15H2,1-2H3,(H,27,30)
InChIKeyMMOWXXRAYLPHMM-UHFFFAOYSA-N
XLogP6.06
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.86
LogP ≤ 56.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-[(2-chlorophenyl)methyl]-3-[2-(2,3-dichlorophenyl)propyl]-1-(1-methylpiperidin-4-yl)urea with MolForge

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Related Compounds

1-benzyl-3-[1-(3-chloro-2-methylphenyl)ethyl]-1-(1-methylpiperidin-4-yl)urea
CID 70653571
3-[1-(2,3-dichlorophenyl)ethyl]-1-methoxy-1-(1-methylpiperidin-4-yl)urea
CID 88868027
1-benzyl-3-[1-(2,3-dichlorophenyl)ethyl]-1-(1-methylpiperidin-4-yl)urea;N-benzyl-1-methylpiperidin-4-amine;1-(2,3-dichlorophenyl)ethanamine
CID 159904542
3-[(1R)-1-(3-chloro-2-methylphenyl)ethyl]-1-ethyl-1-(1-methylpiperidin-4-yl)urea
CID 70653331
N-[(2-chlorophenyl)methyl]-N'-methyl-N'-(1-methylpiperidin-4-yl)oxamide
CID 108506051
N-[(2,3-dichlorophenyl)methyl]-2-methyl-N-piperidin-4-ylpropanamide
CID 11587945
1-[(2-chlorophenyl)methyl]-1-(1-methylpiperidin-4-yl)-3-(2,4,4-trimethylpentan-2-yl)thiourea
CID 3484571
N-cyclopropyl-N-[(2,3-dichlorophenyl)methyl]propanamide
CID 69301683
(2S)-2-amino-N-[(2-chlorophenyl)methyl]-N-cyclopropyl-3-methylbutanamide
CID 66568347
1-[(2-chlorophenyl)methyl]-1-cyclopentyl-3-phenylurea
CID 151779518
1-(1-benzylpiperidin-4-yl)-1-[(2-chlorophenyl)methyl]-3-(4-ethylphenyl)urea
CID 42702435
3-[1-(3-chloro-2-methylphenyl)propyl]-1-ethyl-1-(1-methylpiperidin-4-yl)urea
CID 70653454

Frequently Asked Questions

What is the IUPAC name of 1-[(2-chlorophenyl)methyl]-3-[2-(2,3-dichlorophenyl)propyl]-1-(1-methylpiperidin-4-yl)urea?
The IUPAC name of 1-[(2-chlorophenyl)methyl]-3-[2-(2,3-dichlorophenyl)propyl]-1-(1-methylpiperidin-4-yl)urea (CID 126763051) is 1-[(2-chlorophenyl)methyl]-3-[2-(2,3-dichlorophenyl)propyl]-1-(1-methylpiperidin-4-yl)urea.
What is the SMILES notation for 1-[(2-chlorophenyl)methyl]-3-[2-(2,3-dichlorophenyl)propyl]-1-(1-methylpiperidin-4-yl)urea?
The canonical SMILES for 1-[(2-chlorophenyl)methyl]-3-[2-(2,3-dichlorophenyl)propyl]-1-(1-methylpiperidin-4-yl)urea is CC(CNC(=O)N(Cc1ccccc1Cl)C1CCN(C)CC1)c1cccc(Cl)c1Cl.
What is the InChIKey of 1-[(2-chlorophenyl)methyl]-3-[2-(2,3-dichlorophenyl)propyl]-1-(1-methylpiperidin-4-yl)urea?
The InChIKey is MMOWXXRAYLPHMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28Cl3N3O/c1-16(19-7-5-9-21(25)22(19)26)14-27-23(30)29(18-10-12-28(2)13-11-18)15-17-6-3-4-8-20(17)24/h3-9,16,18H,10-15H2,1-2H3,(H,27,30).
What are the key properties of 1-[(2-chlorophenyl)methyl]-3-[2-(2,3-dichlorophenyl)propyl]-1-(1-methylpiperidin-4-yl)urea?
1-[(2-chlorophenyl)methyl]-3-[2-(2,3-dichlorophenyl)propyl]-1-(1-methylpiperidin-4-yl)urea has a molecular weight of 468.86 g/mol, XLogP of 6.06, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chlorophenyl)methyl]-3-[2-(2,3-dichlorophenyl)propyl]-1-(1-methylpiperidin-4-yl)urea is sourced from PubChem (CID 126763051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).