1-(4-methylthiophen-3-yl)-3-(piperidin-3-ylmethyl)urea

C12H19N3OS — CID 128753845

IUPAC1-(4-methylthiophen-3-yl)-3-(piperidin-3-ylmethyl)urea
SMILESCc1cscc1NC(=O)NCC1CCCNC1
InChIInChI=1S/C12H19N3OS/c1-9-7-17-8-11(9)15-12(16)14-6-10-3-2-4-13-5-10/h7-8,10,13H,2-6H2,1H3,(H2,14,15,16)
InChIKeySVZUFDYSGYTPOT-UHFFFAOYSA-N
MW253.37 g/mol
LogP2.18
Rot. Bonds3

About 1-(4-methylthiophen-3-yl)-3-(piperidin-3-ylmethyl)urea

1-(4-methylthiophen-3-yl)-3-(piperidin-3-ylmethyl)urea (PubChem CID 128753845) has the molecular formula C12H19N3OS and a molecular weight of 253.37 g/mol. Its IUPAC name is 1-(4-methylthiophen-3-yl)-3-(piperidin-3-ylmethyl)urea.

Molecular Properties

Compound Name1-(4-methylthiophen-3-yl)-3-(piperidin-3-ylmethyl)urea
PubChem CID128753845
Molecular FormulaC12H19N3OS
Molecular Weight253.37 g/mol
Exact Mass253.12
IUPAC Name1-(4-methylthiophen-3-yl)-3-(piperidin-3-ylmethyl)urea
SMILESCc1cscc1NC(=O)NCC1CCCNC1
InChIInChI=1S/C12H19N3OS/c1-9-7-17-8-11(9)15-12(16)14-6-10-3-2-4-13-5-10/h7-8,10,13H,2-6H2,1H3,(H2,14,15,16)
InChIKeySVZUFDYSGYTPOT-UHFFFAOYSA-N
XLogP2.18
TPSA53.16 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.37
LogP ≤ 52.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-(piperidin-3-ylmethyl)-3-pyridin-4-ylurea
CID 117235935
1-(piperidin-3-ylmethyl)-3-propan-2-ylurea
CID 43208690
N-(piperidin-3-ylmethyl)-2-(propan-2-ylcarbamoylamino)benzamide
CID 119464217
1-(2,6-difluorophenyl)-3-(piperidin-3-ylmethyl)urea;hydrochloride
CID 165430548
1-(4-methylthiophen-3-yl)-3-[[(6S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]urea
CID 129477594
1-(4-methylphenyl)-3-(pyrrolidin-3-ylmethyl)urea
CID 80563054
1-(2-hydroxyphenyl)-3-(pyrrolidin-3-ylmethyl)urea
CID 117235769
1-(3-fluorophenyl)-3-[[(3S)-piperidin-3-yl]methyl]urea
CID 51892143
4-methyl-N-(piperidin-3-ylmethyl)-1,3-thiazole-5-carboxamide;dihydrochloride
CID 119459915
1-(piperidin-2-ylmethyl)-3-(piperidin-3-ylmethyl)urea
CID 117235098
2-methyl-N-(piperidin-3-ylmethyl)furan-3-carboxamide
CID 60725298
2-methyl-N-[4-[2-oxo-2-(piperidin-3-ylmethylamino)ethyl]-1,3-thiazol-2-yl]propanamide;dihydrochloride
CID 119461261

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylthiophen-3-yl)-3-(piperidin-3-ylmethyl)urea?
The IUPAC name of 1-(4-methylthiophen-3-yl)-3-(piperidin-3-ylmethyl)urea (CID 128753845) is 1-(4-methylthiophen-3-yl)-3-(piperidin-3-ylmethyl)urea.
What is the SMILES notation for 1-(4-methylthiophen-3-yl)-3-(piperidin-3-ylmethyl)urea?
The canonical SMILES for 1-(4-methylthiophen-3-yl)-3-(piperidin-3-ylmethyl)urea is Cc1cscc1NC(=O)NCC1CCCNC1.
What is the InChIKey of 1-(4-methylthiophen-3-yl)-3-(piperidin-3-ylmethyl)urea?
The InChIKey is SVZUFDYSGYTPOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3OS/c1-9-7-17-8-11(9)15-12(16)14-6-10-3-2-4-13-5-10/h7-8,10,13H,2-6H2,1H3,(H2,14,15,16).
What are the key properties of 1-(4-methylthiophen-3-yl)-3-(piperidin-3-ylmethyl)urea?
1-(4-methylthiophen-3-yl)-3-(piperidin-3-ylmethyl)urea has a molecular weight of 253.37 g/mol, XLogP of 2.18, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylthiophen-3-yl)-3-(piperidin-3-ylmethyl)urea is sourced from PubChem (CID 128753845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).