1-[2-(dimethylamino)ethyl]-3-[(3R)-2-oxopiperidin-3-yl]-1-(thiophen-3-ylmethyl)urea

C15H24N4O2S — CID 125436471

IUPAC1-[2-(dimethylamino)ethyl]-3-[(3R)-2-oxopiperidin-3-yl]-1-(thiophen-3-ylmethyl)urea
SMILESCN(C)CCN(Cc1ccsc1)C(=O)N[C@@H]1CCCNC1=O
InChIInChI=1S/C15H24N4O2S/c1-18(2)7-8-19(10-12-5-9-22-11-12)15(21)17-13-4-3-6-16-14(13)20/h5,9,11,13H,3-4,6-8,10H2,1-2H3,(H,16,20)(H,17,21)/t13-/m1/s1
InChIKeyDYUNEQMNODTMCE-CYBMUJFWSA-N
MW324.45 g/mol
LogP1.10
Rot. Bonds6

About 1-[2-(dimethylamino)ethyl]-3-[(3R)-2-oxopiperidin-3-yl]-1-(thiophen-3-ylmethyl)urea

1-[2-(dimethylamino)ethyl]-3-[(3R)-2-oxopiperidin-3-yl]-1-(thiophen-3-ylmethyl)urea (PubChem CID 125436471) has the molecular formula C15H24N4O2S and a molecular weight of 324.45 g/mol. Its IUPAC name is 1-[2-(dimethylamino)ethyl]-3-[(3R)-2-oxopiperidin-3-yl]-1-(thiophen-3-ylmethyl)urea.

Molecular Properties

Compound Name1-[2-(dimethylamino)ethyl]-3-[(3R)-2-oxopiperidin-3-yl]-1-(thiophen-3-ylmethyl)urea
PubChem CID125436471
Molecular FormulaC15H24N4O2S
Molecular Weight324.45 g/mol
Exact Mass324.16
IUPAC Name1-[2-(dimethylamino)ethyl]-3-[(3R)-2-oxopiperidin-3-yl]-1-(thiophen-3-ylmethyl)urea
SMILESCN(C)CCN(Cc1ccsc1)C(=O)N[C@@H]1CCCNC1=O
InChIInChI=1S/C15H24N4O2S/c1-18(2)7-8-19(10-12-5-9-22-11-12)15(21)17-13-4-3-6-16-14(13)20/h5,9,11,13H,3-4,6-8,10H2,1-2H3,(H,16,20)(H,17,21)/t13-/m1/s1
InChIKeyDYUNEQMNODTMCE-CYBMUJFWSA-N
XLogP1.10
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.45
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[methyl(thiophen-3-ylmethyl)amino]-N-[(3S)-2-oxoazepan-3-yl]acetamide
CID 94083760
1-(3-methoxypropyl)-1-[(4-methylphenyl)methyl]-3-(2-oxopiperidin-3-yl)urea
CID 122564176
3-[ethyl-[(2-oxopiperidin-3-yl)carbamoyl]amino]-2-methylpropanoic acid
CID 62853219
1-(2-oxoazepan-3-yl)-3-(2-thiophen-3-ylethyl)urea
CID 47248756
1-benzyl-1-methyl-3-(2-oxoazepan-3-yl)urea
CID 47248762
3-(1-thiophen-3-ylpropan-2-ylamino)azepan-2-one
CID 54953284
1-(1,3-benzodioxol-5-ylmethyl)-1-methyl-3-[(3R)-2-oxoazepan-3-yl]urea
CID 94030634
1-ethyl-1-(furan-2-ylmethyl)-3-[(3S)-2-oxoazepan-3-yl]urea
CID 94058653
1-(2-methoxyethyl)-3-[(1S)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]-1-(thiophen-3-ylmethyl)urea
CID 126423557
N-methyl-2-(2-pyrrolidin-2-ylpyrrolidin-1-yl)-N-(thiophen-3-ylmethyl)acetamide
CID 62273221
(2S)-N-[(3R)-2-oxoazepan-3-yl]-2-thiophen-3-ylpyrrolidine-1-carboxamide
CID 94058656
1-[2-(dimethylamino)ethyl]-3-[(2R)-1-(3-methyl-2-pyridinyl)propan-2-yl]-1-(thiophen-3-ylmethyl)urea
CID 126453471

Frequently Asked Questions

What is the IUPAC name of 1-[2-(dimethylamino)ethyl]-3-[(3R)-2-oxopiperidin-3-yl]-1-(thiophen-3-ylmethyl)urea?
The IUPAC name of 1-[2-(dimethylamino)ethyl]-3-[(3R)-2-oxopiperidin-3-yl]-1-(thiophen-3-ylmethyl)urea (CID 125436471) is 1-[2-(dimethylamino)ethyl]-3-[(3R)-2-oxopiperidin-3-yl]-1-(thiophen-3-ylmethyl)urea.
What is the SMILES notation for 1-[2-(dimethylamino)ethyl]-3-[(3R)-2-oxopiperidin-3-yl]-1-(thiophen-3-ylmethyl)urea?
The canonical SMILES for 1-[2-(dimethylamino)ethyl]-3-[(3R)-2-oxopiperidin-3-yl]-1-(thiophen-3-ylmethyl)urea is CN(C)CCN(Cc1ccsc1)C(=O)N[C@@H]1CCCNC1=O.
What is the InChIKey of 1-[2-(dimethylamino)ethyl]-3-[(3R)-2-oxopiperidin-3-yl]-1-(thiophen-3-ylmethyl)urea?
The InChIKey is DYUNEQMNODTMCE-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H24N4O2S/c1-18(2)7-8-19(10-12-5-9-22-11-12)15(21)17-13-4-3-6-16-14(13)20/h5,9,11,13H,3-4,6-8,10H2,1-2H3,(H,16,20)(H,17,21)/t13-/m1/s1.
What are the key properties of 1-[2-(dimethylamino)ethyl]-3-[(3R)-2-oxopiperidin-3-yl]-1-(thiophen-3-ylmethyl)urea?
1-[2-(dimethylamino)ethyl]-3-[(3R)-2-oxopiperidin-3-yl]-1-(thiophen-3-ylmethyl)urea has a molecular weight of 324.45 g/mol, XLogP of 1.10, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(dimethylamino)ethyl]-3-[(3R)-2-oxopiperidin-3-yl]-1-(thiophen-3-ylmethyl)urea is sourced from PubChem (CID 125436471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).