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

C23H29Cl2N3O — CID 42708840

IUPAC3-(3-chlorophenyl)-1-[(4-chlorophenyl)methyl]-1-[3-(2-methylpiperidin-1-yl)propyl]urea
SMILESCC1CCCCN1CCCN(Cc1ccc(Cl)cc1)C(=O)Nc1cccc(Cl)c1
InChIInChI=1S/C23H29Cl2N3O/c1-18-6-2-3-13-27(18)14-5-15-28(17-19-9-11-20(24)12-10-19)23(29)26-22-8-4-7-21(25)16-22/h4,7-12,16,18H,2-3,5-6,13-15,17H2,1H3,(H,26,29)
InChIKeyUGNMRGOMMBLJLL-UHFFFAOYSA-N
MW434.41 g/mol
LogP6.29
Rot. Bonds7

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

3-(3-chlorophenyl)-1-[(4-chlorophenyl)methyl]-1-[3-(2-methylpiperidin-1-yl)propyl]urea (PubChem CID 42708840) has the molecular formula C23H29Cl2N3O and a molecular weight of 434.41 g/mol. Its IUPAC name is 3-(3-chlorophenyl)-1-[(4-chlorophenyl)methyl]-1-[3-(2-methylpiperidin-1-yl)propyl]urea.

Molecular Properties

Compound Name3-(3-chlorophenyl)-1-[(4-chlorophenyl)methyl]-1-[3-(2-methylpiperidin-1-yl)propyl]urea
PubChem CID42708840
Molecular FormulaC23H29Cl2N3O
Molecular Weight434.41 g/mol
Exact Mass433.17
IUPAC Name3-(3-chlorophenyl)-1-[(4-chlorophenyl)methyl]-1-[3-(2-methylpiperidin-1-yl)propyl]urea
SMILESCC1CCCCN1CCCN(Cc1ccc(Cl)cc1)C(=O)Nc1cccc(Cl)c1
InChIInChI=1S/C23H29Cl2N3O/c1-18-6-2-3-13-27(18)14-5-15-28(17-19-9-11-20(24)12-10-19)23(29)26-22-8-4-7-21(25)16-22/h4,7-12,16,18H,2-3,5-6,13-15,17H2,1H3,(H,26,29)
InChIKeyUGNMRGOMMBLJLL-UHFFFAOYSA-N
XLogP6.29
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.41
LogP ≤ 56.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(4-chlorophenyl)methyl]-1-[3-(2-methylpiperidin-1-yl)propyl]-3-[3-(trifluoromethyl)phenyl]urea
CID 42708841
1-(1,3-benzodioxol-5-ylmethyl)-3-(4-chlorophenyl)-1-[3-(2-methylpiperidin-1-yl)propyl]urea
CID 42724357
1-[(3,4-dimethoxyphenyl)methyl]-1-[3-(2-methylpiperidin-1-yl)propyl]-3-phenylurea
CID 42700747
3-(2-methylphenyl)-1-[3-(2-methylpiperidin-1-yl)propyl]-1-(pyridin-4-ylmethyl)urea
CID 42700766
N-[(4-chlorophenyl)methyl]-3,4,5-trimethoxy-N-[3-(2-methylpiperidin-1-yl)propyl]benzamide
CID 42708491
3-(4-ethylphenyl)-1-[(2-methoxyphenyl)methyl]-1-[3-(2-methylpiperidin-1-yl)propyl]urea
CID 42708507
N-(3-chlorophenyl)-4-[2-[3-[(2S)-2-methylpiperidin-1-yl]propylamino]-2-oxoethyl]piperidine-1-carboxamide
CID 93056113
N-(3-chlorophenyl)-4-[2-[3-[(2R)-2-methylpiperidin-1-yl]propylamino]-2-oxoethyl]piperidine-1-carboxamide
CID 93056112
N-(4-chlorophenyl)-4-[2-[(3-chlorophenyl)carbamoyl-[(4-fluorophenyl)methyl]amino]ethyl]piperazine-1-carboxamide
CID 42709979
3-(4-chlorophenyl)-1-[(3-chlorophenyl)methyl]-1-(3-morpholin-4-ylpropyl)urea
CID 5011395
3-(4-methoxyphenyl)-1-[3-(2-methylpiperidin-1-yl)propyl]-1-[(3-methylthiophen-2-yl)methyl]urea
CID 42703465
3-(3-chlorophenyl)-1-[(3-fluorophenyl)methyl]-1-(3-morpholin-4-ylpropyl)urea
CID 4184098

Frequently Asked Questions

What is the IUPAC name of 3-(3-chlorophenyl)-1-[(4-chlorophenyl)methyl]-1-[3-(2-methylpiperidin-1-yl)propyl]urea?
The IUPAC name of 3-(3-chlorophenyl)-1-[(4-chlorophenyl)methyl]-1-[3-(2-methylpiperidin-1-yl)propyl]urea (CID 42708840) is 3-(3-chlorophenyl)-1-[(4-chlorophenyl)methyl]-1-[3-(2-methylpiperidin-1-yl)propyl]urea.
What is the SMILES notation for 3-(3-chlorophenyl)-1-[(4-chlorophenyl)methyl]-1-[3-(2-methylpiperidin-1-yl)propyl]urea?
The canonical SMILES for 3-(3-chlorophenyl)-1-[(4-chlorophenyl)methyl]-1-[3-(2-methylpiperidin-1-yl)propyl]urea is CC1CCCCN1CCCN(Cc1ccc(Cl)cc1)C(=O)Nc1cccc(Cl)c1.
What is the InChIKey of 3-(3-chlorophenyl)-1-[(4-chlorophenyl)methyl]-1-[3-(2-methylpiperidin-1-yl)propyl]urea?
The InChIKey is UGNMRGOMMBLJLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29Cl2N3O/c1-18-6-2-3-13-27(18)14-5-15-28(17-19-9-11-20(24)12-10-19)23(29)26-22-8-4-7-21(25)16-22/h4,7-12,16,18H,2-3,5-6,13-15,17H2,1H3,(H,26,29).
What are the key properties of 3-(3-chlorophenyl)-1-[(4-chlorophenyl)methyl]-1-[3-(2-methylpiperidin-1-yl)propyl]urea?
3-(3-chlorophenyl)-1-[(4-chlorophenyl)methyl]-1-[3-(2-methylpiperidin-1-yl)propyl]urea has a molecular weight of 434.41 g/mol, XLogP of 6.29, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chlorophenyl)-1-[(4-chlorophenyl)methyl]-1-[3-(2-methylpiperidin-1-yl)propyl]urea is sourced from PubChem (CID 42708840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).