methyl 1-[6-oxo-1-(3-phenylpropyl)piperidine-3-carbonyl]piperidine-4-carboxylate

C22H30N2O4 — CID 24790447

IUPACmethyl 1-[6-oxo-1-(3-phenylpropyl)piperidine-3-carbonyl]piperidine-4-carboxylate
SMILESCOC(=O)C1CCN(C(=O)C2CCC(=O)N(CCCc3ccccc3)C2)CC1
InChIInChI=1S/C22H30N2O4/c1-28-22(27)18-11-14-23(15-12-18)21(26)19-9-10-20(25)24(16-19)13-5-8-17-6-3-2-4-7-17/h2-4,6-7,18-19H,5,8-16H2,1H3
InChIKeyGXQAFJRWQHFTLW-UHFFFAOYSA-N
MW386.49 g/mol
LogP2.27
Rot. Bonds6

About methyl 1-[6-oxo-1-(3-phenylpropyl)piperidine-3-carbonyl]piperidine-4-carboxylate

methyl 1-[6-oxo-1-(3-phenylpropyl)piperidine-3-carbonyl]piperidine-4-carboxylate (PubChem CID 24790447) has the molecular formula C22H30N2O4 and a molecular weight of 386.49 g/mol. Its IUPAC name is methyl 1-[6-oxo-1-(3-phenylpropyl)piperidine-3-carbonyl]piperidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 1-[6-oxo-1-(3-phenylpropyl)piperidine-3-carbonyl]piperidine-4-carboxylate
PubChem CID24790447
Molecular FormulaC22H30N2O4
Molecular Weight386.49 g/mol
Exact Mass386.22
IUPAC Namemethyl 1-[6-oxo-1-(3-phenylpropyl)piperidine-3-carbonyl]piperidine-4-carboxylate
SMILESCOC(=O)C1CCN(C(=O)C2CCC(=O)N(CCCc3ccccc3)C2)CC1
InChIInChI=1S/C22H30N2O4/c1-28-22(27)18-11-14-23(15-12-18)21(26)19-9-10-20(25)24(16-19)13-5-8-17-6-3-2-4-7-17/h2-4,6-7,18-19H,5,8-16H2,1H3
InChIKeyGXQAFJRWQHFTLW-UHFFFAOYSA-N
XLogP2.27
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.49
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 1-[6-oxo-1-(3-phenylpropyl)piperidine-3-carbonyl]piperidine-4-carboxylate?
The IUPAC name of methyl 1-[6-oxo-1-(3-phenylpropyl)piperidine-3-carbonyl]piperidine-4-carboxylate (CID 24790447) is methyl 1-[6-oxo-1-(3-phenylpropyl)piperidine-3-carbonyl]piperidine-4-carboxylate.
What is the SMILES notation for methyl 1-[6-oxo-1-(3-phenylpropyl)piperidine-3-carbonyl]piperidine-4-carboxylate?
The canonical SMILES for methyl 1-[6-oxo-1-(3-phenylpropyl)piperidine-3-carbonyl]piperidine-4-carboxylate is COC(=O)C1CCN(C(=O)C2CCC(=O)N(CCCc3ccccc3)C2)CC1.
What is the InChIKey of methyl 1-[6-oxo-1-(3-phenylpropyl)piperidine-3-carbonyl]piperidine-4-carboxylate?
The InChIKey is GXQAFJRWQHFTLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N2O4/c1-28-22(27)18-11-14-23(15-12-18)21(26)19-9-10-20(25)24(16-19)13-5-8-17-6-3-2-4-7-17/h2-4,6-7,18-19H,5,8-16H2,1H3.
What are the key properties of methyl 1-[6-oxo-1-(3-phenylpropyl)piperidine-3-carbonyl]piperidine-4-carboxylate?
methyl 1-[6-oxo-1-(3-phenylpropyl)piperidine-3-carbonyl]piperidine-4-carboxylate has a molecular weight of 386.49 g/mol, XLogP of 2.27, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[6-oxo-1-(3-phenylpropyl)piperidine-3-carbonyl]piperidine-4-carboxylate is sourced from PubChem (CID 24790447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).