1-[1-(furan-2-yl)propan-2-yl]-3-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]urea

C20H29N3O2S — CID 55738649

IUPAC1-[1-(furan-2-yl)propan-2-yl]-3-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]urea
SMILESCC1CCN(C(CNC(=O)NC(C)Cc2ccco2)c2cccs2)CC1
InChIInChI=1S/C20H29N3O2S/c1-15-7-9-23(10-8-15)18(19-6-4-12-26-19)14-21-20(24)22-16(2)13-17-5-3-11-25-17/h3-6,11-12,15-16,18H,7-10,13-14H2,1-2H3,(H2,21,22,24)
InChIKeyFTURWSVDWYPTCY-UHFFFAOYSA-N
MW375.54 g/mol
LogP4.04
Rot. Bonds7

About 1-[1-(furan-2-yl)propan-2-yl]-3-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]urea

1-[1-(furan-2-yl)propan-2-yl]-3-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]urea (PubChem CID 55738649) has the molecular formula C20H29N3O2S and a molecular weight of 375.54 g/mol. Its IUPAC name is 1-[1-(furan-2-yl)propan-2-yl]-3-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]urea.

Molecular Properties

Compound Name1-[1-(furan-2-yl)propan-2-yl]-3-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]urea
PubChem CID55738649
Molecular FormulaC20H29N3O2S
Molecular Weight375.54 g/mol
Exact Mass375.20
IUPAC Name1-[1-(furan-2-yl)propan-2-yl]-3-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]urea
SMILESCC1CCN(C(CNC(=O)NC(C)Cc2ccco2)c2cccs2)CC1
InChIInChI=1S/C20H29N3O2S/c1-15-7-9-23(10-8-15)18(19-6-4-12-26-19)14-21-20(24)22-16(2)13-17-5-3-11-25-17/h3-6,11-12,15-16,18H,7-10,13-14H2,1-2H3,(H2,21,22,24)
InChIKeyFTURWSVDWYPTCY-UHFFFAOYSA-N
XLogP4.04
TPSA57.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.54
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(furan-2-ylmethyl)-1-(2-methoxyethyl)-3-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]urea
CID 78888450
3-amino-N-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]butanamide
CID 119830777
2-amino-N-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]benzamide;dihydrochloride
CID 119946151
N-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]benzamide
CID 43006371
N-[(2R)-4-[[(2R)-2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]amino]-4-oxobutan-2-yl]benzamide
CID 30524266
N-[4-methyl-5-[[(2S)-2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]carbamoyl]thiophen-2-yl]furan-2-carboxamide
CID 34942302
2-methyl-1-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]-3-propan-2-ylguanidine;hydroiodide
CID 111125886
1-[(2S)-2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]-3-(1H-pyrazol-5-ylmethyl)urea
CID 94173591
4-[1-(furan-2-yl)propan-2-ylcarbamoylamino]-3-methylbutanoic acid
CID 81070013
4-amino-N-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]butanamide;dihydrochloride
CID 119830784
2-(2-methoxyphenyl)-N-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]acetamide
CID 43006350
(2S)-N-[(2S)-2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]-2-(1,2,4-triazol-1-yl)propanamide
CID 94042765

Frequently Asked Questions

What is the IUPAC name of 1-[1-(furan-2-yl)propan-2-yl]-3-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]urea?
The IUPAC name of 1-[1-(furan-2-yl)propan-2-yl]-3-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]urea (CID 55738649) is 1-[1-(furan-2-yl)propan-2-yl]-3-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]urea.
What is the SMILES notation for 1-[1-(furan-2-yl)propan-2-yl]-3-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]urea?
The canonical SMILES for 1-[1-(furan-2-yl)propan-2-yl]-3-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]urea is CC1CCN(C(CNC(=O)NC(C)Cc2ccco2)c2cccs2)CC1.
What is the InChIKey of 1-[1-(furan-2-yl)propan-2-yl]-3-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]urea?
The InChIKey is FTURWSVDWYPTCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O2S/c1-15-7-9-23(10-8-15)18(19-6-4-12-26-19)14-21-20(24)22-16(2)13-17-5-3-11-25-17/h3-6,11-12,15-16,18H,7-10,13-14H2,1-2H3,(H2,21,22,24).
What are the key properties of 1-[1-(furan-2-yl)propan-2-yl]-3-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]urea?
1-[1-(furan-2-yl)propan-2-yl]-3-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]urea has a molecular weight of 375.54 g/mol, XLogP of 4.04, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(furan-2-yl)propan-2-yl]-3-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]urea is sourced from PubChem (CID 55738649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).