5-[4-(3-methoxypropyl)piperidine-1-carbonyl]-1-(2-phenylethyl)piperidin-2-one

C23H34N2O3 — CID 24793807

IUPAC5-[4-(3-methoxypropyl)piperidine-1-carbonyl]-1-(2-phenylethyl)piperidin-2-one
SMILESCOCCCC1CCN(C(=O)C2CCC(=O)N(CCc3ccccc3)C2)CC1
InChIInChI=1S/C23H34N2O3/c1-28-17-5-8-20-11-14-24(15-12-20)23(27)21-9-10-22(26)25(18-21)16-13-19-6-3-2-4-7-19/h2-4,6-7,20-21H,5,8-18H2,1H3
InChIKeyGIUCLFNVLHQXDT-UHFFFAOYSA-N
MW386.54 g/mol
LogP3.13
Rot. Bonds8

About 5-[4-(3-methoxypropyl)piperidine-1-carbonyl]-1-(2-phenylethyl)piperidin-2-one

5-[4-(3-methoxypropyl)piperidine-1-carbonyl]-1-(2-phenylethyl)piperidin-2-one (PubChem CID 24793807) has the molecular formula C23H34N2O3 and a molecular weight of 386.54 g/mol. Its IUPAC name is 5-[4-(3-methoxypropyl)piperidine-1-carbonyl]-1-(2-phenylethyl)piperidin-2-one.

Molecular Properties

Compound Name5-[4-(3-methoxypropyl)piperidine-1-carbonyl]-1-(2-phenylethyl)piperidin-2-one
PubChem CID24793807
Molecular FormulaC23H34N2O3
Molecular Weight386.54 g/mol
Exact Mass386.26
IUPAC Name5-[4-(3-methoxypropyl)piperidine-1-carbonyl]-1-(2-phenylethyl)piperidin-2-one
SMILESCOCCCC1CCN(C(=O)C2CCC(=O)N(CCc3ccccc3)C2)CC1
InChIInChI=1S/C23H34N2O3/c1-28-17-5-8-20-11-14-24(15-12-20)23(27)21-9-10-22(26)25(18-21)16-13-19-6-3-2-4-7-19/h2-4,6-7,20-21H,5,8-18H2,1H3
InChIKeyGIUCLFNVLHQXDT-UHFFFAOYSA-N
XLogP3.13
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.54
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N,N-diethyl-1-(2-methyl-3-phenyl-2-propen-1-yl)-3-piperidinecarboxamide
CID 5310615
N,N-diethyl-1-[(E)-3-phenylprop-2-enyl]piperidine-3-carboxamide
CID 5310857
1-[2-(3-Fluorophenyl)ethyl]-5-[(4-methoxy-1-piperidinyl)carbonyl]-2-piperidinone
CID 24790276
Methyl 1-{[6-oxo-1-(3-phenylpropyl)-3-piperidinyl]carbonyl}-4-piperidinecarboxylate
CID 24790447
5-[2,2-Bis(prop-2-enyl)pyrrolidine-1-carbonyl]-1-(2-phenylethyl)piperidin-2-one
CID 24791508
5-{[4-(2-Methoxyethyl)-1-piperazinyl]carbonyl}-1-(2-phenylethyl)-2-piperidinone
CID 24793163
1-[2-(3-Fluorophenyl)ethyl]-5-(4-methylpiperazine-1-carbonyl)piperidin-2-one
CID 24793260
N-{[1-({1-[2-(3-fluorophenyl)ethyl]-6-oxo-3-piperidinyl}carbonyl)-4-piperidinyl]methyl}acetamide
CID 24794305
5-{[4-(Methoxymethyl)-1-piperidinyl]carbonyl}-1-[3-(trifluoromethyl)benzyl]-2-piperidinone
CID 24794332
1-(cyclohexylmethyl)-N-(4-ethylbenzyl)-N-methyl-6-oxo-3-piperidinecarboxamide
CID 24818972
5-(1,2-Oxazinan-2-ylcarbonyl)-1-(2-phenylethyl)-2-piperidinone
CID 24819472
Methyl 1-({1-[2-(3-fluorophenyl)ethyl]-6-oxo-3-piperidinyl}carbonyl)-4-piperidinecarboxylate
CID 24819508

Frequently Asked Questions

What is the IUPAC name of 5-[4-(3-methoxypropyl)piperidine-1-carbonyl]-1-(2-phenylethyl)piperidin-2-one?
The IUPAC name of 5-[4-(3-methoxypropyl)piperidine-1-carbonyl]-1-(2-phenylethyl)piperidin-2-one (CID 24793807) is 5-[4-(3-methoxypropyl)piperidine-1-carbonyl]-1-(2-phenylethyl)piperidin-2-one.
What is the SMILES notation for 5-[4-(3-methoxypropyl)piperidine-1-carbonyl]-1-(2-phenylethyl)piperidin-2-one?
The canonical SMILES for 5-[4-(3-methoxypropyl)piperidine-1-carbonyl]-1-(2-phenylethyl)piperidin-2-one is COCCCC1CCN(C(=O)C2CCC(=O)N(CCc3ccccc3)C2)CC1.
What is the InChIKey of 5-[4-(3-methoxypropyl)piperidine-1-carbonyl]-1-(2-phenylethyl)piperidin-2-one?
The InChIKey is GIUCLFNVLHQXDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H34N2O3/c1-28-17-5-8-20-11-14-24(15-12-20)23(27)21-9-10-22(26)25(18-21)16-13-19-6-3-2-4-7-19/h2-4,6-7,20-21H,5,8-18H2,1H3.
What are the key properties of 5-[4-(3-methoxypropyl)piperidine-1-carbonyl]-1-(2-phenylethyl)piperidin-2-one?
5-[4-(3-methoxypropyl)piperidine-1-carbonyl]-1-(2-phenylethyl)piperidin-2-one has a molecular weight of 386.54 g/mol, XLogP of 3.13, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(3-methoxypropyl)piperidine-1-carbonyl]-1-(2-phenylethyl)piperidin-2-one is sourced from PubChem (CID 24793807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).