methyl [4-(N-propanoylanilino)-1-(2-thiophen-2-ylethyl)piperidin-4-yl]methyl carbonate

C23H30N2O4S — CID 14494484

IUPACmethyl [4-(N-propanoylanilino)-1-(2-thiophen-2-ylethyl)piperidin-4-yl]methyl carbonate
SMILESCCC(=O)N(c1ccccc1)C1(COC(=O)OC)CCN(CCc2cccs2)CC1
InChIInChI=1S/C23H30N2O4S/c1-3-21(26)25(19-8-5-4-6-9-19)23(18-29-22(27)28-2)12-15-24(16-13-23)14-11-20-10-7-17-30-20/h4-10,17H,3,11-16,18H2,1-2H3
InChIKeyUTYURDKGRZXBGW-UHFFFAOYSA-N
MW430.57 g/mol
LogP4.35
Rot. Bonds8

About methyl [4-(N-propanoylanilino)-1-(2-thiophen-2-ylethyl)piperidin-4-yl]methyl carbonate

methyl [4-(N-propanoylanilino)-1-(2-thiophen-2-ylethyl)piperidin-4-yl]methyl carbonate (PubChem CID 14494484) has the molecular formula C23H30N2O4S and a molecular weight of 430.57 g/mol. Its IUPAC name is methyl [4-(N-propanoylanilino)-1-(2-thiophen-2-ylethyl)piperidin-4-yl]methyl carbonate.

Molecular Properties

Compound Namemethyl [4-(N-propanoylanilino)-1-(2-thiophen-2-ylethyl)piperidin-4-yl]methyl carbonate
PubChem CID14494484
Molecular FormulaC23H30N2O4S
Molecular Weight430.57 g/mol
Exact Mass430.19
IUPAC Namemethyl [4-(N-propanoylanilino)-1-(2-thiophen-2-ylethyl)piperidin-4-yl]methyl carbonate
SMILESCCC(=O)N(c1ccccc1)C1(COC(=O)OC)CCN(CCc2cccs2)CC1
InChIInChI=1S/C23H30N2O4S/c1-3-21(26)25(19-8-5-4-6-9-19)23(18-29-22(27)28-2)12-15-24(16-13-23)14-11-20-10-7-17-30-20/h4-10,17H,3,11-16,18H2,1-2H3
InChIKeyUTYURDKGRZXBGW-UHFFFAOYSA-N
XLogP4.35
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.57
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl [4-(N-propanoylanilino)-1-(2-thiophen-2-ylethyl)piperidin-4-yl]methyl carbonate?
The IUPAC name of methyl [4-(N-propanoylanilino)-1-(2-thiophen-2-ylethyl)piperidin-4-yl]methyl carbonate (CID 14494484) is methyl [4-(N-propanoylanilino)-1-(2-thiophen-2-ylethyl)piperidin-4-yl]methyl carbonate.
What is the SMILES notation for methyl [4-(N-propanoylanilino)-1-(2-thiophen-2-ylethyl)piperidin-4-yl]methyl carbonate?
The canonical SMILES for methyl [4-(N-propanoylanilino)-1-(2-thiophen-2-ylethyl)piperidin-4-yl]methyl carbonate is CCC(=O)N(c1ccccc1)C1(COC(=O)OC)CCN(CCc2cccs2)CC1.
What is the InChIKey of methyl [4-(N-propanoylanilino)-1-(2-thiophen-2-ylethyl)piperidin-4-yl]methyl carbonate?
The InChIKey is UTYURDKGRZXBGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O4S/c1-3-21(26)25(19-8-5-4-6-9-19)23(18-29-22(27)28-2)12-15-24(16-13-23)14-11-20-10-7-17-30-20/h4-10,17H,3,11-16,18H2,1-2H3.
What are the key properties of methyl [4-(N-propanoylanilino)-1-(2-thiophen-2-ylethyl)piperidin-4-yl]methyl carbonate?
methyl [4-(N-propanoylanilino)-1-(2-thiophen-2-ylethyl)piperidin-4-yl]methyl carbonate has a molecular weight of 430.57 g/mol, XLogP of 4.35, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl [4-(N-propanoylanilino)-1-(2-thiophen-2-ylethyl)piperidin-4-yl]methyl carbonate is sourced from PubChem (CID 14494484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).