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

C21H30N4OS — CID 47024260

IUPAC1-(1-benzylpiperidin-4-yl)-3-[2-(dimethylamino)-2-thiophen-3-ylethyl]urea
SMILESCN(C)C(CNC(=O)NC1CCN(Cc2ccccc2)CC1)c1ccsc1
InChIInChI=1S/C21H30N4OS/c1-24(2)20(18-10-13-27-16-18)14-22-21(26)23-19-8-11-25(12-9-19)15-17-6-4-3-5-7-17/h3-7,10,13,16,19-20H,8-9,11-12,14-15H2,1-2H3,(H2,22,23,26)
InChIKeyLWWALWDHDZFGCN-UHFFFAOYSA-N
MW386.56 g/mol
LogP3.31
Rot. Bonds7

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

1-(1-benzylpiperidin-4-yl)-3-[2-(dimethylamino)-2-thiophen-3-ylethyl]urea (PubChem CID 47024260) 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-3-ylethyl]urea.

Molecular Properties

Compound Name1-(1-benzylpiperidin-4-yl)-3-[2-(dimethylamino)-2-thiophen-3-ylethyl]urea
PubChem CID47024260
Molecular FormulaC21H30N4OS
Molecular Weight386.56 g/mol
Exact Mass386.21
IUPAC Name1-(1-benzylpiperidin-4-yl)-3-[2-(dimethylamino)-2-thiophen-3-ylethyl]urea
SMILESCN(C)C(CNC(=O)NC1CCN(Cc2ccccc2)CC1)c1ccsc1
InChIInChI=1S/C21H30N4OS/c1-24(2)20(18-10-13-27-16-18)14-22-21(26)23-19-8-11-25(12-9-19)15-17-6-4-3-5-7-17/h3-7,10,13,16,19-20H,8-9,11-12,14-15H2,1-2H3,(H2,22,23,26)
InChIKeyLWWALWDHDZFGCN-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]urea
CID 55472238
1-(1-acetylpiperidin-4-yl)-3-[(2R)-2-(dimethylamino)-2-thiophen-3-ylethyl]urea
CID 95161216
1-(1-acetylpiperidin-4-yl)-3-[(2S)-2-(dimethylamino)-2-thiophen-3-ylethyl]urea
CID 95161217
1-[2-(dimethylamino)-2-thiophen-3-ylethyl]-3-(1,2,3,4-tetrahydronaphthalen-2-yl)urea
CID 134307029
1-(2-hydroxy-2-thiophen-3-ylethyl)-3-(1-phenylpiperidin-4-yl)urea
CID 111443812
1-[2-(dimethylamino)-2-thiophen-3-ylethyl]-3-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]urea
CID 51092805
1-[(2S)-2-(dimethylamino)-2-thiophen-3-ylethyl]-3-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]urea
CID 94176470
(3R)-1-benzyl-N-[(2S)-2-(dimethylamino)-2-thiophen-3-ylethyl]-5-oxopyrrolidine-3-carboxamide
CID 32630812
N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-3-phenylpropanamide
CID 16931154
1-(1-benzylpiperidin-4-yl)-3-[2-(dimethylamino)-2-thiophen-2-ylethyl]-2-methylguanidine;hydroiodide
CID 110986703
1-(1-benzylpiperidin-4-yl)-3-(cyclopentylmethyl)urea
CID 38887235
1-(2-chlorophenyl)-3-[(2S)-2-(dimethylamino)-2-thiophen-3-ylethyl]urea
CID 51896387

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzylpiperidin-4-yl)-3-[2-(dimethylamino)-2-thiophen-3-ylethyl]urea?
The IUPAC name of 1-(1-benzylpiperidin-4-yl)-3-[2-(dimethylamino)-2-thiophen-3-ylethyl]urea (CID 47024260) is 1-(1-benzylpiperidin-4-yl)-3-[2-(dimethylamino)-2-thiophen-3-ylethyl]urea.
What is the SMILES notation for 1-(1-benzylpiperidin-4-yl)-3-[2-(dimethylamino)-2-thiophen-3-ylethyl]urea?
The canonical SMILES for 1-(1-benzylpiperidin-4-yl)-3-[2-(dimethylamino)-2-thiophen-3-ylethyl]urea is CN(C)C(CNC(=O)NC1CCN(Cc2ccccc2)CC1)c1ccsc1.
What is the InChIKey of 1-(1-benzylpiperidin-4-yl)-3-[2-(dimethylamino)-2-thiophen-3-ylethyl]urea?
The InChIKey is LWWALWDHDZFGCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N4OS/c1-24(2)20(18-10-13-27-16-18)14-22-21(26)23-19-8-11-25(12-9-19)15-17-6-4-3-5-7-17/h3-7,10,13,16,19-20H,8-9,11-12,14-15H2,1-2H3,(H2,22,23,26).
What are the key properties of 1-(1-benzylpiperidin-4-yl)-3-[2-(dimethylamino)-2-thiophen-3-ylethyl]urea?
1-(1-benzylpiperidin-4-yl)-3-[2-(dimethylamino)-2-thiophen-3-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-3-ylethyl]urea is sourced from PubChem (CID 47024260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).