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

C22H31FN2O3 — CID 24790694

IUPAC1-[(2-fluorophenyl)methyl]-5-[4-(3-methoxypropyl)piperidine-1-carbonyl]piperidin-2-one
SMILESCOCCCC1CCN(C(=O)C2CCC(=O)N(Cc3ccccc3F)C2)CC1
InChIInChI=1S/C22H31FN2O3/c1-28-14-4-5-17-10-12-24(13-11-17)22(27)19-8-9-21(26)25(16-19)15-18-6-2-3-7-20(18)23/h2-3,6-7,17,19H,4-5,8-16H2,1H3
InChIKeyQJQNDMQFBVVMCG-UHFFFAOYSA-N
MW390.50 g/mol
LogP3.23
Rot. Bonds7

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

1-[(2-fluorophenyl)methyl]-5-[4-(3-methoxypropyl)piperidine-1-carbonyl]piperidin-2-one (PubChem CID 24790694) has the molecular formula C22H31FN2O3 and a molecular weight of 390.50 g/mol. Its IUPAC name is 1-[(2-fluorophenyl)methyl]-5-[4-(3-methoxypropyl)piperidine-1-carbonyl]piperidin-2-one.

Molecular Properties

Compound Name1-[(2-fluorophenyl)methyl]-5-[4-(3-methoxypropyl)piperidine-1-carbonyl]piperidin-2-one
PubChem CID24790694
Molecular FormulaC22H31FN2O3
Molecular Weight390.50 g/mol
Exact Mass390.23
IUPAC Name1-[(2-fluorophenyl)methyl]-5-[4-(3-methoxypropyl)piperidine-1-carbonyl]piperidin-2-one
SMILESCOCCCC1CCN(C(=O)C2CCC(=O)N(Cc3ccccc3F)C2)CC1
InChIInChI=1S/C22H31FN2O3/c1-28-14-4-5-17-10-12-24(13-11-17)22(27)19-8-9-21(26)25(16-19)15-18-6-2-3-7-20(18)23/h2-3,6-7,17,19H,4-5,8-16H2,1H3
InChIKeyQJQNDMQFBVVMCG-UHFFFAOYSA-N
XLogP3.23
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.50
LogP ≤ 53.23
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

(3-Fluorophenyl)[3-(piperidin-1-ylcarbonyl)piperidin-1-yl]methanone
CID 3769094
(4-Fluorophenyl)[3-(piperidin-1-ylcarbonyl)piperidin-1-yl]methanone
CID 3791194
1-benzyl-N,N-diethyl-3-piperidinecarboxamide
CID 2838082
GT-12
CID 164934
Cambridge id 5260289
CID 2838041
1-(3,4-difluorobenzyl)-N,N-diethyl-3-piperidinecarboxamide
CID 2838224
1-(2-(1-Benzylpiperidin-4-yl)ethyl)piperidin-2-one
CID 10335000
1-[2-(3-Fluorophenyl)ethyl]-5-[(4-methoxy-1-piperidinyl)carbonyl]-2-piperidinone
CID 24790276
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
5-{[4-(3-Methoxypropyl)-1-piperidinyl]carbonyl}-1-(2-phenylethyl)-2-piperidinone
CID 24793807
1-(cyclohexylmethyl)-N-methyl-6-oxo-N-[3-(trifluoromethyl)benzyl]-3-piperidinecarboxamide
CID 24793871

Frequently Asked Questions

What is the IUPAC name of 1-[(2-fluorophenyl)methyl]-5-[4-(3-methoxypropyl)piperidine-1-carbonyl]piperidin-2-one?
The IUPAC name of 1-[(2-fluorophenyl)methyl]-5-[4-(3-methoxypropyl)piperidine-1-carbonyl]piperidin-2-one (CID 24790694) is 1-[(2-fluorophenyl)methyl]-5-[4-(3-methoxypropyl)piperidine-1-carbonyl]piperidin-2-one.
What is the SMILES notation for 1-[(2-fluorophenyl)methyl]-5-[4-(3-methoxypropyl)piperidine-1-carbonyl]piperidin-2-one?
The canonical SMILES for 1-[(2-fluorophenyl)methyl]-5-[4-(3-methoxypropyl)piperidine-1-carbonyl]piperidin-2-one is COCCCC1CCN(C(=O)C2CCC(=O)N(Cc3ccccc3F)C2)CC1.
What is the InChIKey of 1-[(2-fluorophenyl)methyl]-5-[4-(3-methoxypropyl)piperidine-1-carbonyl]piperidin-2-one?
The InChIKey is QJQNDMQFBVVMCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31FN2O3/c1-28-14-4-5-17-10-12-24(13-11-17)22(27)19-8-9-21(26)25(16-19)15-18-6-2-3-7-20(18)23/h2-3,6-7,17,19H,4-5,8-16H2,1H3.
What are the key properties of 1-[(2-fluorophenyl)methyl]-5-[4-(3-methoxypropyl)piperidine-1-carbonyl]piperidin-2-one?
1-[(2-fluorophenyl)methyl]-5-[4-(3-methoxypropyl)piperidine-1-carbonyl]piperidin-2-one has a molecular weight of 390.50 g/mol, XLogP of 3.23, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-fluorophenyl)methyl]-5-[4-(3-methoxypropyl)piperidine-1-carbonyl]piperidin-2-one is sourced from PubChem (CID 24790694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).