methyl 4-[4-(N-propanoylanilino)piperidin-1-yl]butanoate

C19H28N2O3 — CID 14873773

IUPACmethyl 4-[4-(N-propanoylanilino)piperidin-1-yl]butanoate
SMILESCCC(=O)N(c1ccccc1)C1CCN(CCCC(=O)OC)CC1
InChIInChI=1S/C19H28N2O3/c1-3-18(22)21(16-8-5-4-6-9-16)17-11-14-20(15-12-17)13-7-10-19(23)24-2/h4-6,8-9,17H,3,7,10-15H2,1-2H3
InChIKeyKRTZAKUJXXMJDB-UHFFFAOYSA-N
MW332.44 g/mol
LogP2.85
Rot. Bonds7

About methyl 4-[4-(N-propanoylanilino)piperidin-1-yl]butanoate

methyl 4-[4-(N-propanoylanilino)piperidin-1-yl]butanoate (PubChem CID 14873773) has the molecular formula C19H28N2O3 and a molecular weight of 332.44 g/mol. Its IUPAC name is methyl 4-[4-(N-propanoylanilino)piperidin-1-yl]butanoate.

Molecular Properties

Compound Namemethyl 4-[4-(N-propanoylanilino)piperidin-1-yl]butanoate
PubChem CID14873773
Molecular FormulaC19H28N2O3
Molecular Weight332.44 g/mol
Exact Mass332.21
IUPAC Namemethyl 4-[4-(N-propanoylanilino)piperidin-1-yl]butanoate
SMILESCCC(=O)N(c1ccccc1)C1CCN(CCCC(=O)OC)CC1
InChIInChI=1S/C19H28N2O3/c1-3-18(22)21(16-8-5-4-6-9-16)17-11-14-20(15-12-17)13-7-10-19(23)24-2/h4-6,8-9,17H,3,7,10-15H2,1-2H3
InChIKeyKRTZAKUJXXMJDB-UHFFFAOYSA-N
XLogP2.85
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.44
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 4-[4-(N-propanoylanilino)piperidin-1-yl]butanoate?
The IUPAC name of methyl 4-[4-(N-propanoylanilino)piperidin-1-yl]butanoate (CID 14873773) is methyl 4-[4-(N-propanoylanilino)piperidin-1-yl]butanoate.
What is the SMILES notation for methyl 4-[4-(N-propanoylanilino)piperidin-1-yl]butanoate?
The canonical SMILES for methyl 4-[4-(N-propanoylanilino)piperidin-1-yl]butanoate is CCC(=O)N(c1ccccc1)C1CCN(CCCC(=O)OC)CC1.
What is the InChIKey of methyl 4-[4-(N-propanoylanilino)piperidin-1-yl]butanoate?
The InChIKey is KRTZAKUJXXMJDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O3/c1-3-18(22)21(16-8-5-4-6-9-16)17-11-14-20(15-12-17)13-7-10-19(23)24-2/h4-6,8-9,17H,3,7,10-15H2,1-2H3.
What are the key properties of methyl 4-[4-(N-propanoylanilino)piperidin-1-yl]butanoate?
methyl 4-[4-(N-propanoylanilino)piperidin-1-yl]butanoate has a molecular weight of 332.44 g/mol, XLogP of 2.85, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[4-(N-propanoylanilino)piperidin-1-yl]butanoate is sourced from PubChem (CID 14873773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).