1-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-1-methyl-3-[(2S)-1-thiophen-2-ylpropan-2-yl]urea

C18H31N3O2S — CID 126437217

IUPAC1-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-1-methyl-3-[(2S)-1-thiophen-2-ylpropan-2-yl]urea
SMILESCOCCN1CCC(CN(C)C(=O)N[C@@H](C)Cc2cccs2)CC1
InChIInChI=1S/C18H31N3O2S/c1-15(13-17-5-4-12-24-17)19-18(22)20(2)14-16-6-8-21(9-7-16)10-11-23-3/h4-5,12,15-16H,6-11,13-14H2,1-3H3,(H,19,22)/t15-/m0/s1
InChIKeyMHGZEEJLGTXYJK-HNNXBMFYSA-N
MW353.53 g/mol
LogP2.68
Rot. Bonds8

About 1-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-1-methyl-3-[(2S)-1-thiophen-2-ylpropan-2-yl]urea

1-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-1-methyl-3-[(2S)-1-thiophen-2-ylpropan-2-yl]urea (PubChem CID 126437217) has the molecular formula C18H31N3O2S and a molecular weight of 353.53 g/mol. Its IUPAC name is 1-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-1-methyl-3-[(2S)-1-thiophen-2-ylpropan-2-yl]urea.

Molecular Properties

Compound Name1-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-1-methyl-3-[(2S)-1-thiophen-2-ylpropan-2-yl]urea
PubChem CID126437217
Molecular FormulaC18H31N3O2S
Molecular Weight353.53 g/mol
Exact Mass353.21
IUPAC Name1-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-1-methyl-3-[(2S)-1-thiophen-2-ylpropan-2-yl]urea
SMILESCOCCN1CCC(CN(C)C(=O)N[C@@H](C)Cc2cccs2)CC1
InChIInChI=1S/C18H31N3O2S/c1-15(13-17-5-4-12-24-17)19-18(22)20(2)14-16-6-8-21(9-7-16)10-11-23-3/h4-5,12,15-16H,6-11,13-14H2,1-3H3,(H,19,22)/t15-/m0/s1
InChIKeyMHGZEEJLGTXYJK-HNNXBMFYSA-N
XLogP2.68
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.53
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-1-methyl-3-[(2S)-1-thiophen-2-ylpropan-2-yl]urea with MolForge

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Related Compounds

1-(cyclopropylmethyl)-3-propan-2-yl-1-[1-(2-thiophen-2-ylethyl)piperidin-4-yl]urea
CID 24732159
1-methyl-1-[[(3R)-1-methylpiperidin-3-yl]methyl]-3-[(2S)-2-methyl-3-thiophen-2-ylpropyl]urea
CID 95967477
3-[(2S)-1-(2,6-difluorophenyl)propan-2-yl]-1-methyl-1-[(1-methylpiperidin-4-yl)methyl]urea
CID 95572634
N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-N-(oxolan-2-ylmethyl)-3-thiophen-2-ylpropanamide
CID 45230896
1-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-1-methyl-3-(2-methyl-3-pyrrolidin-1-ylphenyl)urea
CID 72928653
N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-N-(oxolan-2-ylmethyl)-4-thiophen-2-ylbutanamide
CID 45201215
4-[methyl(1-thiophen-2-ylpropan-2-ylcarbamoyl)amino]butanoic acid
CID 63292151
2-[methyl(1-thiophen-2-ylpropan-2-ylcarbamoyl)amino]propanoic acid
CID 63292232
N-[1-oxo-1-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methylamino]propan-2-yl]thiophene-2-carboxamide
CID 49056517
N-[(2R)-1-thiophen-2-ylpropan-2-yl]cyclobutanecarboxamide
CID 51897806
N-[[1-[2-(2-propan-2-ylphenoxy)ethyl]piperidin-4-yl]methyl]thiophene-2-carboxamide
CID 71462066
1-propan-2-yl-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]pyrazole-3-carboxamide
CID 136525348

Frequently Asked Questions

What is the IUPAC name of 1-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-1-methyl-3-[(2S)-1-thiophen-2-ylpropan-2-yl]urea?
The IUPAC name of 1-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-1-methyl-3-[(2S)-1-thiophen-2-ylpropan-2-yl]urea (CID 126437217) is 1-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-1-methyl-3-[(2S)-1-thiophen-2-ylpropan-2-yl]urea.
What is the SMILES notation for 1-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-1-methyl-3-[(2S)-1-thiophen-2-ylpropan-2-yl]urea?
The canonical SMILES for 1-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-1-methyl-3-[(2S)-1-thiophen-2-ylpropan-2-yl]urea is COCCN1CCC(CN(C)C(=O)N[C@@H](C)Cc2cccs2)CC1.
What is the InChIKey of 1-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-1-methyl-3-[(2S)-1-thiophen-2-ylpropan-2-yl]urea?
The InChIKey is MHGZEEJLGTXYJK-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H31N3O2S/c1-15(13-17-5-4-12-24-17)19-18(22)20(2)14-16-6-8-21(9-7-16)10-11-23-3/h4-5,12,15-16H,6-11,13-14H2,1-3H3,(H,19,22)/t15-/m0/s1.
What are the key properties of 1-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-1-methyl-3-[(2S)-1-thiophen-2-ylpropan-2-yl]urea?
1-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-1-methyl-3-[(2S)-1-thiophen-2-ylpropan-2-yl]urea has a molecular weight of 353.53 g/mol, XLogP of 2.68, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-1-methyl-3-[(2S)-1-thiophen-2-ylpropan-2-yl]urea is sourced from PubChem (CID 126437217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).