1-methyl-1-(2-phenoxyethyl)-3-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]urea

C21H29N3O2S — CID 60604714

IUPAC1-methyl-1-(2-phenoxyethyl)-3-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]urea
SMILESCN(CCOc1ccccc1)C(=O)NCC1CCN(Cc2cccs2)CC1
InChIInChI=1S/C21H29N3O2S/c1-23(13-14-26-19-6-3-2-4-7-19)21(25)22-16-18-9-11-24(12-10-18)17-20-8-5-15-27-20/h2-8,15,18H,9-14,16-17H2,1H3,(H,22,25)
InChIKeyZCRIMYBTJLJDQK-UHFFFAOYSA-N
MW387.55 g/mol
LogP3.68
Rot. Bonds8

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

1-methyl-1-(2-phenoxyethyl)-3-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]urea (PubChem CID 60604714) has the molecular formula C21H29N3O2S and a molecular weight of 387.55 g/mol. Its IUPAC name is 1-methyl-1-(2-phenoxyethyl)-3-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]urea.

Molecular Properties

Compound Name1-methyl-1-(2-phenoxyethyl)-3-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]urea
PubChem CID60604714
Molecular FormulaC21H29N3O2S
Molecular Weight387.55 g/mol
Exact Mass387.20
IUPAC Name1-methyl-1-(2-phenoxyethyl)-3-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]urea
SMILESCN(CCOc1ccccc1)C(=O)NCC1CCN(Cc2cccs2)CC1
InChIInChI=1S/C21H29N3O2S/c1-23(13-14-26-19-6-3-2-4-7-19)21(25)22-16-18-9-11-24(12-10-18)17-20-8-5-15-27-20/h2-8,15,18H,9-14,16-17H2,1H3,(H,22,25)
InChIKeyZCRIMYBTJLJDQK-UHFFFAOYSA-N
XLogP3.68
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.55
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-methyl-1-(2-phenoxyethyl)-3-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]urea with MolForge

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Related Compounds

1-methyl-1-(2-phenoxyethyl)-3-[[1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]urea
CID 60606352
1-methyl-1-(2-phenoxyethyl)-3-(thiophen-2-ylmethyl)urea
CID 134056756
1-[(4-methoxyphenyl)methyl]-1-methyl-3-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]urea
CID 48964602
1,2-dimethyl-1-(2-phenoxyethyl)-3-[[1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]guanidine
CID 111274075
2-(4-propoxyphenoxy)-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]acetamide
CID 49056925
1-(cyclopropylmethyl)-1-(1-phenylethyl)-3-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]urea
CID 86876605
2-amino-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]acetamide
CID 119865468
N,N-dimethyl-2-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methylcarbamoylamino]propanamide
CID 49133501
4-methyl-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]pentanamide
CID 49056824
(2R)-2-ethoxy-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]butanamide
CID 95149836
1-amino-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]cyclopropane-1-carboxamide;dihydrochloride
CID 119865422
1-butyl-1,2-dimethyl-3-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]guanidine
CID 111159195

Frequently Asked Questions

What is the IUPAC name of 1-methyl-1-(2-phenoxyethyl)-3-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]urea?
The IUPAC name of 1-methyl-1-(2-phenoxyethyl)-3-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]urea (CID 60604714) is 1-methyl-1-(2-phenoxyethyl)-3-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]urea.
What is the SMILES notation for 1-methyl-1-(2-phenoxyethyl)-3-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]urea?
The canonical SMILES for 1-methyl-1-(2-phenoxyethyl)-3-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]urea is CN(CCOc1ccccc1)C(=O)NCC1CCN(Cc2cccs2)CC1.
What is the InChIKey of 1-methyl-1-(2-phenoxyethyl)-3-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]urea?
The InChIKey is ZCRIMYBTJLJDQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3O2S/c1-23(13-14-26-19-6-3-2-4-7-19)21(25)22-16-18-9-11-24(12-10-18)17-20-8-5-15-27-20/h2-8,15,18H,9-14,16-17H2,1H3,(H,22,25).
What are the key properties of 1-methyl-1-(2-phenoxyethyl)-3-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]urea?
1-methyl-1-(2-phenoxyethyl)-3-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]urea has a molecular weight of 387.55 g/mol, XLogP of 3.68, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-1-(2-phenoxyethyl)-3-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]urea is sourced from PubChem (CID 60604714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).