1-(2,4-dimethoxyphenyl)-3-[[(3R)-1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]urea

C20H27N3O3S — CID 94335154

IUPAC1-(2,4-dimethoxyphenyl)-3-[[(3R)-1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]urea
SMILESCOc1ccc(NC(=O)NC[C@H]2CCCN(Cc3cccs3)C2)c(OC)c1
InChIInChI=1S/C20H27N3O3S/c1-25-16-7-8-18(19(11-16)26-2)22-20(24)21-12-15-5-3-9-23(13-15)14-17-6-4-10-27-17/h4,6-8,10-11,15H,3,5,9,12-14H2,1-2H3,(H2,21,22,24)/t15-/m1/s1
InChIKeyPISXBLFIYYSGGN-OAHLLOKOSA-N
MW389.52 g/mol
LogP3.80
Rot. Bonds7

About 1-(2,4-dimethoxyphenyl)-3-[[(3R)-1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]urea

1-(2,4-dimethoxyphenyl)-3-[[(3R)-1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]urea (PubChem CID 94335154) has the molecular formula C20H27N3O3S and a molecular weight of 389.52 g/mol. Its IUPAC name is 1-(2,4-dimethoxyphenyl)-3-[[(3R)-1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]urea.

Molecular Properties

Compound Name1-(2,4-dimethoxyphenyl)-3-[[(3R)-1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]urea
PubChem CID94335154
Molecular FormulaC20H27N3O3S
Molecular Weight389.52 g/mol
Exact Mass389.18
IUPAC Name1-(2,4-dimethoxyphenyl)-3-[[(3R)-1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]urea
SMILESCOc1ccc(NC(=O)NC[C@H]2CCCN(Cc3cccs3)C2)c(OC)c1
InChIInChI=1S/C20H27N3O3S/c1-25-16-7-8-18(19(11-16)26-2)22-20(24)21-12-15-5-3-9-23(13-15)14-17-6-4-10-27-17/h4,6-8,10-11,15H,3,5,9,12-14H2,1-2H3,(H2,21,22,24)/t15-/m1/s1
InChIKeyPISXBLFIYYSGGN-OAHLLOKOSA-N
XLogP3.80
TPSA62.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.52
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-(2,4-dimethoxyphenyl)-3-[[(3R)-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-(2-hydroxyethyl)-3-[[1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]urea
CID 49280156
N'-(2,5-dimethoxyphenyl)-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]oxamide
CID 16887339
1-(1-methylpiperidin-4-yl)-3-[[1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]urea
CID 60605733
1-[(6-methoxy-3-pyridinyl)methyl]-3-[[(3R)-1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]urea
CID 52511041
1-[(4-methoxyphenyl)methyl]-2-methyl-3-[[1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]guanidine;hydroiodide
CID 111184079
2-(3-methylphenoxy)-N-[[1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]propanamide
CID 49215548
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
4-(3-methoxyphenyl)-N'-methyl-N-[[1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]piperazine-1-carboximidamide;hydroiodide
CID 111290894
1-(1-hydroxybutan-2-yl)-3-[[1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]urea
CID 110910670
3-amino-2-methyl-N-[[1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]butanamide;dihydrochloride
CID 120503386
1-[(2-methoxyphenyl)methyl]-2-methyl-3-[[1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]guanidine;hydroiodide
CID 111217396

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethoxyphenyl)-3-[[(3R)-1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]urea?
The IUPAC name of 1-(2,4-dimethoxyphenyl)-3-[[(3R)-1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]urea (CID 94335154) is 1-(2,4-dimethoxyphenyl)-3-[[(3R)-1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]urea.
What is the SMILES notation for 1-(2,4-dimethoxyphenyl)-3-[[(3R)-1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]urea?
The canonical SMILES for 1-(2,4-dimethoxyphenyl)-3-[[(3R)-1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]urea is COc1ccc(NC(=O)NC[C@H]2CCCN(Cc3cccs3)C2)c(OC)c1.
What is the InChIKey of 1-(2,4-dimethoxyphenyl)-3-[[(3R)-1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]urea?
The InChIKey is PISXBLFIYYSGGN-OAHLLOKOSA-N. The full InChI is InChI=1S/C20H27N3O3S/c1-25-16-7-8-18(19(11-16)26-2)22-20(24)21-12-15-5-3-9-23(13-15)14-17-6-4-10-27-17/h4,6-8,10-11,15H,3,5,9,12-14H2,1-2H3,(H2,21,22,24)/t15-/m1/s1.
What are the key properties of 1-(2,4-dimethoxyphenyl)-3-[[(3R)-1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]urea?
1-(2,4-dimethoxyphenyl)-3-[[(3R)-1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]urea has a molecular weight of 389.52 g/mol, XLogP of 3.80, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethoxyphenyl)-3-[[(3R)-1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]urea is sourced from PubChem (CID 94335154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).