1-(1-benzylpiperidin-4-yl)-3-[2-(dimethylamino)-2-thiophen-2-ylethyl]urea

C21H30N4OS — CID 55472238

IUPAC1-(1-benzylpiperidin-4-yl)-3-[2-(dimethylamino)-2-thiophen-2-ylethyl]urea
SMILESCN(C)C(CNC(=O)NC1CCN(Cc2ccccc2)CC1)c1cccs1
InChIInChI=1S/C21H30N4OS/c1-24(2)19(20-9-6-14-27-20)15-22-21(26)23-18-10-12-25(13-11-18)16-17-7-4-3-5-8-17/h3-9,14,18-19H,10-13,15-16H2,1-2H3,(H2,22,23,26)
InChIKeyJXXHUBAPCVXQHT-UHFFFAOYSA-N
MW386.56 g/mol
LogP3.31
Rot. Bonds7

About 1-(1-benzylpiperidin-4-yl)-3-[2-(dimethylamino)-2-thiophen-2-ylethyl]urea

1-(1-benzylpiperidin-4-yl)-3-[2-(dimethylamino)-2-thiophen-2-ylethyl]urea (PubChem CID 55472238) has the molecular formula C21H30N4OS and a molecular weight of 386.56 g/mol. Its IUPAC name is 1-(1-benzylpiperidin-4-yl)-3-[2-(dimethylamino)-2-thiophen-2-ylethyl]urea.

Molecular Properties

Compound Name1-(1-benzylpiperidin-4-yl)-3-[2-(dimethylamino)-2-thiophen-2-ylethyl]urea
PubChem CID55472238
Molecular FormulaC21H30N4OS
Molecular Weight386.56 g/mol
Exact Mass386.21
IUPAC Name1-(1-benzylpiperidin-4-yl)-3-[2-(dimethylamino)-2-thiophen-2-ylethyl]urea
SMILESCN(C)C(CNC(=O)NC1CCN(Cc2ccccc2)CC1)c1cccs1
InChIInChI=1S/C21H30N4OS/c1-24(2)19(20-9-6-14-27-20)15-22-21(26)23-18-10-12-25(13-11-18)16-17-7-4-3-5-8-17/h3-9,14,18-19H,10-13,15-16H2,1-2H3,(H2,22,23,26)
InChIKeyJXXHUBAPCVXQHT-UHFFFAOYSA-N
XLogP3.31
TPSA47.61 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.56
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1-benzylpiperidin-4-yl)-3-[2-(dimethylamino)-2-thiophen-2-ylethyl]-2-methylguanidine;hydroiodide
CID 110986703
1-(1-benzylpiperidin-4-yl)-3-[2-(dimethylamino)-2-thiophen-3-ylethyl]urea
CID 47024260
1-[(2S)-2-(dimethylamino)-2-thiophen-2-ylethyl]-3-[(3R)-1-(2-methoxyethyl)pyrrolidin-3-yl]urea
CID 97060514
1-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-3-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)urea
CID 60548428
1-[(2S)-2-(dimethylamino)-2-thiophen-2-ylethyl]-3-[(3R)-1,1-dioxothiolan-3-yl]urea
CID 94519038
1-(1-benzylpiperidin-4-yl)-2-methyl-3-(2-thiophen-2-ylpropyl)guanidine;hydroiodide
CID 111790828
1-(1-benzyl-2-methylpiperidin-4-yl)-3-[2-(dimethylamino)-2-thiophen-2-ylethyl]-2-methylguanidine
CID 109458598
N'-cyclohexyl-N-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]oxamide
CID 30834974
1-(1-benzylpiperidin-4-yl)-3-(cyclopentylmethyl)urea
CID 38887235
N-[1-[(1-benzylpiperidin-4-yl)amino]-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 55484698
N-(1-benzylpiperidin-4-yl)-2-[[(S)-(4-methylphenyl)-thiophen-2-ylmethyl]amino]acetamide
CID 25495715
1-[4-[[2-(dimethylamino)-2-thiophen-2-ylethyl]amino]piperidin-1-yl]ethanone
CID 43223422

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzylpiperidin-4-yl)-3-[2-(dimethylamino)-2-thiophen-2-ylethyl]urea?
The IUPAC name of 1-(1-benzylpiperidin-4-yl)-3-[2-(dimethylamino)-2-thiophen-2-ylethyl]urea (CID 55472238) is 1-(1-benzylpiperidin-4-yl)-3-[2-(dimethylamino)-2-thiophen-2-ylethyl]urea.
What is the SMILES notation for 1-(1-benzylpiperidin-4-yl)-3-[2-(dimethylamino)-2-thiophen-2-ylethyl]urea?
The canonical SMILES for 1-(1-benzylpiperidin-4-yl)-3-[2-(dimethylamino)-2-thiophen-2-ylethyl]urea is CN(C)C(CNC(=O)NC1CCN(Cc2ccccc2)CC1)c1cccs1.
What is the InChIKey of 1-(1-benzylpiperidin-4-yl)-3-[2-(dimethylamino)-2-thiophen-2-ylethyl]urea?
The InChIKey is JXXHUBAPCVXQHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N4OS/c1-24(2)19(20-9-6-14-27-20)15-22-21(26)23-18-10-12-25(13-11-18)16-17-7-4-3-5-8-17/h3-9,14,18-19H,10-13,15-16H2,1-2H3,(H2,22,23,26).
What are the key properties of 1-(1-benzylpiperidin-4-yl)-3-[2-(dimethylamino)-2-thiophen-2-ylethyl]urea?
1-(1-benzylpiperidin-4-yl)-3-[2-(dimethylamino)-2-thiophen-2-ylethyl]urea has a molecular weight of 386.56 g/mol, XLogP of 3.31, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzylpiperidin-4-yl)-3-[2-(dimethylamino)-2-thiophen-2-ylethyl]urea is sourced from PubChem (CID 55472238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).