methyl 4-(N-propanoylanilino)piperidine-4-carboxylate

C16H22N2O3 — CID 2724431

IUPACmethyl 4-(N-propanoylanilino)piperidine-4-carboxylate
SMILESCCC(=O)N(c1ccccc1)C1(C(=O)OC)CCNCC1
InChIInChI=1S/C16H22N2O3/c1-3-14(19)18(13-7-5-4-6-8-13)16(15(20)21-2)9-11-17-12-10-16/h4-8,17H,3,9-12H2,1-2H3
InChIKeyHFNFODVRYCEIQL-UHFFFAOYSA-N
MW290.36 g/mol
LogP1.72
Rot. Bonds4

About methyl 4-(N-propanoylanilino)piperidine-4-carboxylate

methyl 4-(N-propanoylanilino)piperidine-4-carboxylate (PubChem CID 2724431) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is methyl 4-(N-propanoylanilino)piperidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 4-(N-propanoylanilino)piperidine-4-carboxylate
PubChem CID2724431
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Namemethyl 4-(N-propanoylanilino)piperidine-4-carboxylate
SMILESCCC(=O)N(c1ccccc1)C1(C(=O)OC)CCNCC1
InChIInChI=1S/C16H22N2O3/c1-3-14(19)18(13-7-5-4-6-8-13)16(15(20)21-2)9-11-17-12-10-16/h4-8,17H,3,9-12H2,1-2H3
InChIKeyHFNFODVRYCEIQL-UHFFFAOYSA-N
XLogP1.72
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 4-(N-propanoylanilino)piperidine-4-carboxylate?
The IUPAC name of methyl 4-(N-propanoylanilino)piperidine-4-carboxylate (CID 2724431) is methyl 4-(N-propanoylanilino)piperidine-4-carboxylate.
What is the SMILES notation for methyl 4-(N-propanoylanilino)piperidine-4-carboxylate?
The canonical SMILES for methyl 4-(N-propanoylanilino)piperidine-4-carboxylate is CCC(=O)N(c1ccccc1)C1(C(=O)OC)CCNCC1.
What is the InChIKey of methyl 4-(N-propanoylanilino)piperidine-4-carboxylate?
The InChIKey is HFNFODVRYCEIQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-3-14(19)18(13-7-5-4-6-8-13)16(15(20)21-2)9-11-17-12-10-16/h4-8,17H,3,9-12H2,1-2H3.
What are the key properties of methyl 4-(N-propanoylanilino)piperidine-4-carboxylate?
methyl 4-(N-propanoylanilino)piperidine-4-carboxylate has a molecular weight of 290.36 g/mol, XLogP of 1.72, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(N-propanoylanilino)piperidine-4-carboxylate is sourced from PubChem (CID 2724431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).