1-[1-[4-[(3,4-dichlorophenyl)methyl]piperidin-1-yl]-3,3-dimethylbutan-2-yl]-3-(4-methoxyphenyl)urea

C26H35Cl2N3O2 — CID 91404555

IUPAC1-[1-[4-[(3,4-dichlorophenyl)methyl]piperidin-1-yl]-3,3-dimethylbutan-2-yl]-3-(4-methoxyphenyl)urea
SMILESCOc1ccc(NC(=O)NC(CN2CCC(Cc3ccc(Cl)c(Cl)c3)CC2)C(C)(C)C)cc1
InChIInChI=1S/C26H35Cl2N3O2/c1-26(2,3)24(30-25(32)29-20-6-8-21(33-4)9-7-20)17-31-13-11-18(12-14-31)15-19-5-10-22(27)23(28)16-19/h5-10,16,18,24H,11-15,17H2,1-4H3,(H2,29,30,32)
InChIKeyHYCAXVNYROKGRR-UHFFFAOYSA-N
MW492.49 g/mol
LogP6.49
Rot. Bonds7

About 1-[1-[4-[(3,4-dichlorophenyl)methyl]piperidin-1-yl]-3,3-dimethylbutan-2-yl]-3-(4-methoxyphenyl)urea

1-[1-[4-[(3,4-dichlorophenyl)methyl]piperidin-1-yl]-3,3-dimethylbutan-2-yl]-3-(4-methoxyphenyl)urea (PubChem CID 91404555) has the molecular formula C26H35Cl2N3O2 and a molecular weight of 492.49 g/mol. Its IUPAC name is 1-[1-[4-[(3,4-dichlorophenyl)methyl]piperidin-1-yl]-3,3-dimethylbutan-2-yl]-3-(4-methoxyphenyl)urea.

Molecular Properties

Compound Name1-[1-[4-[(3,4-dichlorophenyl)methyl]piperidin-1-yl]-3,3-dimethylbutan-2-yl]-3-(4-methoxyphenyl)urea
PubChem CID91404555
Molecular FormulaC26H35Cl2N3O2
Molecular Weight492.49 g/mol
Exact Mass491.21
IUPAC Name1-[1-[4-[(3,4-dichlorophenyl)methyl]piperidin-1-yl]-3,3-dimethylbutan-2-yl]-3-(4-methoxyphenyl)urea
SMILESCOc1ccc(NC(=O)NC(CN2CCC(Cc3ccc(Cl)c(Cl)c3)CC2)C(C)(C)C)cc1
InChIInChI=1S/C26H35Cl2N3O2/c1-26(2,3)24(30-25(32)29-20-6-8-21(33-4)9-7-20)17-31-13-11-18(12-14-31)15-19-5-10-22(27)23(28)16-19/h5-10,16,18,24H,11-15,17H2,1-4H3,(H2,29,30,32)
InChIKeyHYCAXVNYROKGRR-UHFFFAOYSA-N
XLogP6.49
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500492.49
LogP ≤ 56.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[1-[4-[(3,4-dichlorophenyl)methyl]piperidin-1-yl]-3,3-dimethylbutan-2-yl]-3-(4-methoxyphenyl)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-[1-[4-[(3,4-dichlorophenyl)methyl]piperidin-1-yl]-3,3-dimethylbutan-2-yl]-3-(2-methoxyphenyl)urea
CID 23503337
1-[1-[4-[(3,4-dichlorophenyl)methyl]piperidin-1-yl]-3-methylbutan-2-yl]-3-(3,4,5-trimethoxyphenyl)urea
CID 22257688
N-[4-[[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]methyl]phenyl]acetamide
CID 46089334
1-[(2S)-1-imidazol-1-yl-3,3-dimethylbutan-2-yl]-3-(4-methoxyphenyl)urea
CID 93233544
2-(4-benzylpiperidin-1-yl)-N-[(4-methoxyphenyl)carbamoyl]acetamide
CID 27151287
4-[(4-tert-butylphenyl)methyl]-N-(4-methoxyphenyl)piperidine-1-carboxamide
CID 71958612
1-[[1-[(4-fluorophenyl)methyl]piperidin-4-yl]methyl]-3-(4-methoxyphenyl)urea
CID 22430447
N-[[1-[(3,4-dichlorophenyl)methyl]pyrrolidin-3-yl]methyl]-2-(4-methoxyphenyl)acetamide
CID 22115368
1-[1-[4-[(3,4-dichlorophenyl)methyl]-1-methylpiperidin-1-ium-1-yl]-3-methylbutan-2-yl]-3-(3,4,5-trimethoxyphenyl)urea iodide
CID 18323938
(2S)-2-[(4-chlorophenyl)carbamothioylamino]-N-[[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]methyl]propanamide
CID 3006343
1-[(2,4-dichlorophenyl)methyl]-N-(4-methoxyphenyl)piperidine-4-carboxamide
CID 43919697
1-(3,4-dichlorophenyl)-3-[[1-(4-methoxyphenyl)pyrrolidin-3-yl]methyl]urea
CID 3687659

Frequently Asked Questions

What is the IUPAC name of 1-[1-[4-[(3,4-dichlorophenyl)methyl]piperidin-1-yl]-3,3-dimethylbutan-2-yl]-3-(4-methoxyphenyl)urea?
The IUPAC name of 1-[1-[4-[(3,4-dichlorophenyl)methyl]piperidin-1-yl]-3,3-dimethylbutan-2-yl]-3-(4-methoxyphenyl)urea (CID 91404555) is 1-[1-[4-[(3,4-dichlorophenyl)methyl]piperidin-1-yl]-3,3-dimethylbutan-2-yl]-3-(4-methoxyphenyl)urea.
What is the SMILES notation for 1-[1-[4-[(3,4-dichlorophenyl)methyl]piperidin-1-yl]-3,3-dimethylbutan-2-yl]-3-(4-methoxyphenyl)urea?
The canonical SMILES for 1-[1-[4-[(3,4-dichlorophenyl)methyl]piperidin-1-yl]-3,3-dimethylbutan-2-yl]-3-(4-methoxyphenyl)urea is COc1ccc(NC(=O)NC(CN2CCC(Cc3ccc(Cl)c(Cl)c3)CC2)C(C)(C)C)cc1.
What is the InChIKey of 1-[1-[4-[(3,4-dichlorophenyl)methyl]piperidin-1-yl]-3,3-dimethylbutan-2-yl]-3-(4-methoxyphenyl)urea?
The InChIKey is HYCAXVNYROKGRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H35Cl2N3O2/c1-26(2,3)24(30-25(32)29-20-6-8-21(33-4)9-7-20)17-31-13-11-18(12-14-31)15-19-5-10-22(27)23(28)16-19/h5-10,16,18,24H,11-15,17H2,1-4H3,(H2,29,30,32).
What are the key properties of 1-[1-[4-[(3,4-dichlorophenyl)methyl]piperidin-1-yl]-3,3-dimethylbutan-2-yl]-3-(4-methoxyphenyl)urea?
1-[1-[4-[(3,4-dichlorophenyl)methyl]piperidin-1-yl]-3,3-dimethylbutan-2-yl]-3-(4-methoxyphenyl)urea has a molecular weight of 492.49 g/mol, XLogP of 6.49, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[4-[(3,4-dichlorophenyl)methyl]piperidin-1-yl]-3,3-dimethylbutan-2-yl]-3-(4-methoxyphenyl)urea is sourced from PubChem (CID 91404555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).