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

C24H30N2O3 — CID 14494438

IUPAC[4-(N-acetylanilino)-1-(2-phenylethyl)piperidin-4-yl]methyl acetate
SMILESCC(=O)OCC1(N(C(C)=O)c2ccccc2)CCN(CCc2ccccc2)CC1
InChIInChI=1S/C24H30N2O3/c1-20(27)26(23-11-7-4-8-12-23)24(19-29-21(2)28)14-17-25(18-15-24)16-13-22-9-5-3-6-10-22/h3-12H,13-19H2,1-2H3
InChIKeyJKKGMBZUBBIWEK-UHFFFAOYSA-N
MW394.52 g/mol
LogP3.68
Rot. Bonds7

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

[4-(N-acetylanilino)-1-(2-phenylethyl)piperidin-4-yl]methyl acetate (PubChem CID 14494438) has the molecular formula C24H30N2O3 and a molecular weight of 394.52 g/mol. Its IUPAC name is [4-(N-acetylanilino)-1-(2-phenylethyl)piperidin-4-yl]methyl acetate.

Molecular Properties

Compound Name[4-(N-acetylanilino)-1-(2-phenylethyl)piperidin-4-yl]methyl acetate
PubChem CID14494438
Molecular FormulaC24H30N2O3
Molecular Weight394.52 g/mol
Exact Mass394.23
IUPAC Name[4-(N-acetylanilino)-1-(2-phenylethyl)piperidin-4-yl]methyl acetate
SMILESCC(=O)OCC1(N(C(C)=O)c2ccccc2)CCN(CCc2ccccc2)CC1
InChIInChI=1S/C24H30N2O3/c1-20(27)26(23-11-7-4-8-12-23)24(19-29-21(2)28)14-17-25(18-15-24)16-13-22-9-5-3-6-10-22/h3-12H,13-19H2,1-2H3
InChIKeyJKKGMBZUBBIWEK-UHFFFAOYSA-N
XLogP3.68
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.52
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-(N-acetylanilino)-1-(2-phenylethyl)piperidin-4-yl]methyl acetate?
The IUPAC name of [4-(N-acetylanilino)-1-(2-phenylethyl)piperidin-4-yl]methyl acetate (CID 14494438) is [4-(N-acetylanilino)-1-(2-phenylethyl)piperidin-4-yl]methyl acetate.
What is the SMILES notation for [4-(N-acetylanilino)-1-(2-phenylethyl)piperidin-4-yl]methyl acetate?
The canonical SMILES for [4-(N-acetylanilino)-1-(2-phenylethyl)piperidin-4-yl]methyl acetate is CC(=O)OCC1(N(C(C)=O)c2ccccc2)CCN(CCc2ccccc2)CC1.
What is the InChIKey of [4-(N-acetylanilino)-1-(2-phenylethyl)piperidin-4-yl]methyl acetate?
The InChIKey is JKKGMBZUBBIWEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N2O3/c1-20(27)26(23-11-7-4-8-12-23)24(19-29-21(2)28)14-17-25(18-15-24)16-13-22-9-5-3-6-10-22/h3-12H,13-19H2,1-2H3.
What are the key properties of [4-(N-acetylanilino)-1-(2-phenylethyl)piperidin-4-yl]methyl acetate?
[4-(N-acetylanilino)-1-(2-phenylethyl)piperidin-4-yl]methyl acetate has a molecular weight of 394.52 g/mol, XLogP of 3.68, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(N-acetylanilino)-1-(2-phenylethyl)piperidin-4-yl]methyl acetate is sourced from PubChem (CID 14494438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).