1-[(2-chlorophenyl)methyl]-1-methyl-3-[[1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]urea

C20H26ClN3OS — CID 49260983

IUPAC1-[(2-chlorophenyl)methyl]-1-methyl-3-[[1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]urea
SMILESCN(Cc1ccccc1Cl)C(=O)NCC1CCCN(Cc2cccs2)C1
InChIInChI=1S/C20H26ClN3OS/c1-23(14-17-7-2-3-9-19(17)21)20(25)22-12-16-6-4-10-24(13-16)15-18-8-5-11-26-18/h2-3,5,7-9,11,16H,4,6,10,12-15H2,1H3,(H,22,25)
InChIKeyWSXKMSQWKLXUOF-UHFFFAOYSA-N
MW391.97 g/mol
LogP4.46
Rot. Bonds6

About 1-[(2-chlorophenyl)methyl]-1-methyl-3-[[1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]urea

1-[(2-chlorophenyl)methyl]-1-methyl-3-[[1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]urea (PubChem CID 49260983) has the molecular formula C20H26ClN3OS and a molecular weight of 391.97 g/mol. Its IUPAC name is 1-[(2-chlorophenyl)methyl]-1-methyl-3-[[1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]urea.

Molecular Properties

Compound Name1-[(2-chlorophenyl)methyl]-1-methyl-3-[[1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]urea
PubChem CID49260983
Molecular FormulaC20H26ClN3OS
Molecular Weight391.97 g/mol
Exact Mass391.15
IUPAC Name1-[(2-chlorophenyl)methyl]-1-methyl-3-[[1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]urea
SMILESCN(Cc1ccccc1Cl)C(=O)NCC1CCCN(Cc2cccs2)C1
InChIInChI=1S/C20H26ClN3OS/c1-23(14-17-7-2-3-9-19(17)21)20(25)22-12-16-6-4-10-24(13-16)15-18-8-5-11-26-18/h2-3,5,7-9,11,16H,4,6,10,12-15H2,1H3,(H,22,25)
InChIKeyWSXKMSQWKLXUOF-UHFFFAOYSA-N
XLogP4.46
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.97
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[(2-chlorophenyl)methyl]-1-methyl-3-[[1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]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-methyl-1-(2-phenoxyethyl)-3-[[1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]urea
CID 60606352
3-amino-2-methyl-N-[[1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]butanamide;dihydrochloride
CID 120503386
N-methyl-N-[2-oxo-2-[[1-(thiophen-2-ylmethyl)piperidin-3-yl]methylamino]ethyl]benzamide
CID 49214789
N-[[(3S)-1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]cyclopentanecarboxamide
CID 94819121
(2S)-2-methyl-N-[[(3S)-1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]pentanamide
CID 95318380
1-benzyl-N-[[1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]piperidine-3-carboxamide
CID 49214275
(2S)-1-methyl-N-[[(3S)-1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]piperidine-2-carboxamide
CID 95307465
(2R)-1-methyl-N-[[(3S)-1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]piperidine-2-carboxamide
CID 95307464
3-(2-aminophenyl)-N-[[1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]propanamide
CID 120612729
1-amino-N-[[1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]cyclopropane-1-carboxamide;dihydrochloride
CID 119865348
1-(2-hydroxyethyl)-3-[[1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]urea
CID 49280156
2-[methyl-[(3S)-thiolan-3-yl]amino]-N-[[(3S)-1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]acetamide
CID 98794620

Frequently Asked Questions

What is the IUPAC name of 1-[(2-chlorophenyl)methyl]-1-methyl-3-[[1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]urea?
The IUPAC name of 1-[(2-chlorophenyl)methyl]-1-methyl-3-[[1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]urea (CID 49260983) is 1-[(2-chlorophenyl)methyl]-1-methyl-3-[[1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]urea.
What is the SMILES notation for 1-[(2-chlorophenyl)methyl]-1-methyl-3-[[1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]urea?
The canonical SMILES for 1-[(2-chlorophenyl)methyl]-1-methyl-3-[[1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]urea is CN(Cc1ccccc1Cl)C(=O)NCC1CCCN(Cc2cccs2)C1.
What is the InChIKey of 1-[(2-chlorophenyl)methyl]-1-methyl-3-[[1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]urea?
The InChIKey is WSXKMSQWKLXUOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26ClN3OS/c1-23(14-17-7-2-3-9-19(17)21)20(25)22-12-16-6-4-10-24(13-16)15-18-8-5-11-26-18/h2-3,5,7-9,11,16H,4,6,10,12-15H2,1H3,(H,22,25).
What are the key properties of 1-[(2-chlorophenyl)methyl]-1-methyl-3-[[1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]urea?
1-[(2-chlorophenyl)methyl]-1-methyl-3-[[1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]urea has a molecular weight of 391.97 g/mol, XLogP of 4.46, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chlorophenyl)methyl]-1-methyl-3-[[1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]urea is sourced from PubChem (CID 49260983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).