methyl 1-benzyl-4-(N-propanoylanilino)piperidine-4-carboxylate

C23H28N2O3 — CID 2724433

IUPACmethyl 1-benzyl-4-(N-propanoylanilino)piperidine-4-carboxylate
SMILESCCC(=O)N(c1ccccc1)C1(C(=O)OC)CCN(Cc2ccccc2)CC1
InChIInChI=1S/C23H28N2O3/c1-3-21(26)25(20-12-8-5-9-13-20)23(22(27)28-2)14-16-24(17-15-23)18-19-10-6-4-7-11-19/h4-13H,3,14-18H2,1-2H3
InChIKeyQKRGHVDSVANHAD-UHFFFAOYSA-N
MW380.49 g/mol
LogP3.64
Rot. Bonds6

About methyl 1-benzyl-4-(N-propanoylanilino)piperidine-4-carboxylate

methyl 1-benzyl-4-(N-propanoylanilino)piperidine-4-carboxylate (PubChem CID 2724433) has the molecular formula C23H28N2O3 and a molecular weight of 380.49 g/mol. Its IUPAC name is methyl 1-benzyl-4-(N-propanoylanilino)piperidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 1-benzyl-4-(N-propanoylanilino)piperidine-4-carboxylate
PubChem CID2724433
Molecular FormulaC23H28N2O3
Molecular Weight380.49 g/mol
Exact Mass380.21
IUPAC Namemethyl 1-benzyl-4-(N-propanoylanilino)piperidine-4-carboxylate
SMILESCCC(=O)N(c1ccccc1)C1(C(=O)OC)CCN(Cc2ccccc2)CC1
InChIInChI=1S/C23H28N2O3/c1-3-21(26)25(20-12-8-5-9-13-20)23(22(27)28-2)14-16-24(17-15-23)18-19-10-6-4-7-11-19/h4-13H,3,14-18H2,1-2H3
InChIKeyQKRGHVDSVANHAD-UHFFFAOYSA-N
XLogP3.64
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.49
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 1-benzyl-4-(N-propanoylanilino)piperidine-4-carboxylate?
The IUPAC name of methyl 1-benzyl-4-(N-propanoylanilino)piperidine-4-carboxylate (CID 2724433) is methyl 1-benzyl-4-(N-propanoylanilino)piperidine-4-carboxylate.
What is the SMILES notation for methyl 1-benzyl-4-(N-propanoylanilino)piperidine-4-carboxylate?
The canonical SMILES for methyl 1-benzyl-4-(N-propanoylanilino)piperidine-4-carboxylate is CCC(=O)N(c1ccccc1)C1(C(=O)OC)CCN(Cc2ccccc2)CC1.
What is the InChIKey of methyl 1-benzyl-4-(N-propanoylanilino)piperidine-4-carboxylate?
The InChIKey is QKRGHVDSVANHAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O3/c1-3-21(26)25(20-12-8-5-9-13-20)23(22(27)28-2)14-16-24(17-15-23)18-19-10-6-4-7-11-19/h4-13H,3,14-18H2,1-2H3.
What are the key properties of methyl 1-benzyl-4-(N-propanoylanilino)piperidine-4-carboxylate?
methyl 1-benzyl-4-(N-propanoylanilino)piperidine-4-carboxylate has a molecular weight of 380.49 g/mol, XLogP of 3.64, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-benzyl-4-(N-propanoylanilino)piperidine-4-carboxylate is sourced from PubChem (CID 2724433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).