methyl 2-[4-(N-propanoylanilino)piperidin-1-yl]acetate

C17H24N2O3 — CID 14873777

IUPACmethyl 2-[4-(N-propanoylanilino)piperidin-1-yl]acetate
SMILESCCC(=O)N(c1ccccc1)C1CCN(CC(=O)OC)CC1
InChIInChI=1S/C17H24N2O3/c1-3-16(20)19(14-7-5-4-6-8-14)15-9-11-18(12-10-15)13-17(21)22-2/h4-8,15H,3,9-13H2,1-2H3
InChIKeyUBKCQRCHCCIVHO-UHFFFAOYSA-N
MW304.39 g/mol
LogP2.07
Rot. Bonds5

About methyl 2-[4-(N-propanoylanilino)piperidin-1-yl]acetate

methyl 2-[4-(N-propanoylanilino)piperidin-1-yl]acetate (PubChem CID 14873777) has the molecular formula C17H24N2O3 and a molecular weight of 304.39 g/mol. Its IUPAC name is methyl 2-[4-(N-propanoylanilino)piperidin-1-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[4-(N-propanoylanilino)piperidin-1-yl]acetate
PubChem CID14873777
Molecular FormulaC17H24N2O3
Molecular Weight304.39 g/mol
Exact Mass304.18
IUPAC Namemethyl 2-[4-(N-propanoylanilino)piperidin-1-yl]acetate
SMILESCCC(=O)N(c1ccccc1)C1CCN(CC(=O)OC)CC1
InChIInChI=1S/C17H24N2O3/c1-3-16(20)19(14-7-5-4-6-8-14)15-9-11-18(12-10-15)13-17(21)22-2/h4-8,15H,3,9-13H2,1-2H3
InChIKeyUBKCQRCHCCIVHO-UHFFFAOYSA-N
XLogP2.07
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-(N-propanoylanilino)piperidin-1-yl]acetate?
The IUPAC name of methyl 2-[4-(N-propanoylanilino)piperidin-1-yl]acetate (CID 14873777) is methyl 2-[4-(N-propanoylanilino)piperidin-1-yl]acetate.
What is the SMILES notation for methyl 2-[4-(N-propanoylanilino)piperidin-1-yl]acetate?
The canonical SMILES for methyl 2-[4-(N-propanoylanilino)piperidin-1-yl]acetate is CCC(=O)N(c1ccccc1)C1CCN(CC(=O)OC)CC1.
What is the InChIKey of methyl 2-[4-(N-propanoylanilino)piperidin-1-yl]acetate?
The InChIKey is UBKCQRCHCCIVHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O3/c1-3-16(20)19(14-7-5-4-6-8-14)15-9-11-18(12-10-15)13-17(21)22-2/h4-8,15H,3,9-13H2,1-2H3.
What are the key properties of methyl 2-[4-(N-propanoylanilino)piperidin-1-yl]acetate?
methyl 2-[4-(N-propanoylanilino)piperidin-1-yl]acetate has a molecular weight of 304.39 g/mol, XLogP of 2.07, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-(N-propanoylanilino)piperidin-1-yl]acetate is sourced from PubChem (CID 14873777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).