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

C16H26N4O2S — CID 95161217

IUPAC1-(1-acetylpiperidin-4-yl)-3-[(2S)-2-(dimethylamino)-2-thiophen-3-ylethyl]urea
SMILESCC(=O)N1CCC(NC(=O)NC[C@H](c2ccsc2)N(C)C)CC1
InChIInChI=1S/C16H26N4O2S/c1-12(21)20-7-4-14(5-8-20)18-16(22)17-10-15(19(2)3)13-6-9-23-11-13/h6,9,11,14-15H,4-5,7-8,10H2,1-3H3,(H2,17,18,22)/t15-/m1/s1
InChIKeyGSBNKQVAABSHHG-OAHLLOKOSA-N
MW338.48 g/mol
LogP1.66
Rot. Bonds5

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

1-(1-acetylpiperidin-4-yl)-3-[(2S)-2-(dimethylamino)-2-thiophen-3-ylethyl]urea (PubChem CID 95161217) has the molecular formula C16H26N4O2S and a molecular weight of 338.48 g/mol. Its IUPAC name is 1-(1-acetylpiperidin-4-yl)-3-[(2S)-2-(dimethylamino)-2-thiophen-3-ylethyl]urea.

Molecular Properties

Compound Name1-(1-acetylpiperidin-4-yl)-3-[(2S)-2-(dimethylamino)-2-thiophen-3-ylethyl]urea
PubChem CID95161217
Molecular FormulaC16H26N4O2S
Molecular Weight338.48 g/mol
Exact Mass338.18
IUPAC Name1-(1-acetylpiperidin-4-yl)-3-[(2S)-2-(dimethylamino)-2-thiophen-3-ylethyl]urea
SMILESCC(=O)N1CCC(NC(=O)NC[C@H](c2ccsc2)N(C)C)CC1
InChIInChI=1S/C16H26N4O2S/c1-12(21)20-7-4-14(5-8-20)18-16(22)17-10-15(19(2)3)13-6-9-23-11-13/h6,9,11,14-15H,4-5,7-8,10H2,1-3H3,(H2,17,18,22)/t15-/m1/s1
InChIKeyGSBNKQVAABSHHG-OAHLLOKOSA-N
XLogP1.66
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.48
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1-acetylpiperidin-4-yl)-3-[(2R)-2-(dimethylamino)-2-thiophen-3-ylethyl]urea
CID 95161216
1-(1-benzylpiperidin-4-yl)-3-[2-(dimethylamino)-2-thiophen-3-ylethyl]urea
CID 47024260
1-[2-(dimethylamino)-2-thiophen-3-ylethyl]-3-(1,2,3,4-tetrahydronaphthalen-2-yl)urea
CID 134307029
4-acetyl-N-[(2S)-2-(dimethylamino)-2-thiophen-3-ylethyl]-1,4-diazepane-1-carboxamide
CID 94030978
1-[(2S)-2-(dimethylamino)-2-thiophen-3-ylethyl]-3-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]urea
CID 94176470
1-[2-(dimethylamino)-2-thiophen-3-ylethyl]-3-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]urea
CID 51092805
1-[(3R)-1-(cyclopentanecarbonyl)pyrrolidin-3-yl]-3-[(2R)-2-thiophen-3-ylpropyl]urea
CID 97019953
1-[(2S)-2-(dimethylamino)-2-thiophen-3-ylethyl]-3-[(1S,5R,6R)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl]urea
CID 129432203
(2S)-2-amino-N-[2-(dimethylamino)-2-thiophen-3-ylethyl]propanamide
CID 119850709
1-[(2R)-2-(dimethylamino)-2-thiophen-3-ylethyl]-3-[[(3S)-oxolan-3-yl]methyl]urea
CID 94179516
1-(2-hydroxy-2-thiophen-3-ylethyl)-3-(1-phenylpiperidin-4-yl)urea
CID 111443812
N-[(2S)-2-(dimethylamino)-2-thiophen-3-ylethyl]-1-methylsulfonylpiperidine-4-carboxamide
CID 32634657

Frequently Asked Questions

What is the IUPAC name of 1-(1-acetylpiperidin-4-yl)-3-[(2S)-2-(dimethylamino)-2-thiophen-3-ylethyl]urea?
The IUPAC name of 1-(1-acetylpiperidin-4-yl)-3-[(2S)-2-(dimethylamino)-2-thiophen-3-ylethyl]urea (CID 95161217) is 1-(1-acetylpiperidin-4-yl)-3-[(2S)-2-(dimethylamino)-2-thiophen-3-ylethyl]urea.
What is the SMILES notation for 1-(1-acetylpiperidin-4-yl)-3-[(2S)-2-(dimethylamino)-2-thiophen-3-ylethyl]urea?
The canonical SMILES for 1-(1-acetylpiperidin-4-yl)-3-[(2S)-2-(dimethylamino)-2-thiophen-3-ylethyl]urea is CC(=O)N1CCC(NC(=O)NC[C@H](c2ccsc2)N(C)C)CC1.
What is the InChIKey of 1-(1-acetylpiperidin-4-yl)-3-[(2S)-2-(dimethylamino)-2-thiophen-3-ylethyl]urea?
The InChIKey is GSBNKQVAABSHHG-OAHLLOKOSA-N. The full InChI is InChI=1S/C16H26N4O2S/c1-12(21)20-7-4-14(5-8-20)18-16(22)17-10-15(19(2)3)13-6-9-23-11-13/h6,9,11,14-15H,4-5,7-8,10H2,1-3H3,(H2,17,18,22)/t15-/m1/s1.
What are the key properties of 1-(1-acetylpiperidin-4-yl)-3-[(2S)-2-(dimethylamino)-2-thiophen-3-ylethyl]urea?
1-(1-acetylpiperidin-4-yl)-3-[(2S)-2-(dimethylamino)-2-thiophen-3-ylethyl]urea has a molecular weight of 338.48 g/mol, XLogP of 1.66, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-acetylpiperidin-4-yl)-3-[(2S)-2-(dimethylamino)-2-thiophen-3-ylethyl]urea is sourced from PubChem (CID 95161217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).