N-cyclohexyl-1-[(3-fluorophenyl)methyl]-N-methyl-6-oxopiperidine-3-carboxamide

C20H27FN2O2 — CID 24817398

IUPACN-cyclohexyl-1-[(3-fluorophenyl)methyl]-N-methyl-6-oxopiperidine-3-carboxamide
SMILESCN(C(=O)C1CCC(=O)N(Cc2cccc(F)c2)C1)C1CCCCC1
InChIInChI=1S/C20H27FN2O2/c1-22(18-8-3-2-4-9-18)20(25)16-10-11-19(24)23(14-16)13-15-6-5-7-17(21)12-15/h5-7,12,16,18H,2-4,8-11,13-14H2,1H3
InChIKeyMNDYUHVTDZKPOT-UHFFFAOYSA-N
MW346.45 g/mol
LogP3.36
Rot. Bonds4

About N-cyclohexyl-1-[(3-fluorophenyl)methyl]-N-methyl-6-oxopiperidine-3-carboxamide

N-cyclohexyl-1-[(3-fluorophenyl)methyl]-N-methyl-6-oxopiperidine-3-carboxamide (PubChem CID 24817398) has the molecular formula C20H27FN2O2 and a molecular weight of 346.45 g/mol. Its IUPAC name is N-cyclohexyl-1-[(3-fluorophenyl)methyl]-N-methyl-6-oxopiperidine-3-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-1-[(3-fluorophenyl)methyl]-N-methyl-6-oxopiperidine-3-carboxamide
PubChem CID24817398
Molecular FormulaC20H27FN2O2
Molecular Weight346.45 g/mol
Exact Mass346.21
IUPAC NameN-cyclohexyl-1-[(3-fluorophenyl)methyl]-N-methyl-6-oxopiperidine-3-carboxamide
SMILESCN(C(=O)C1CCC(=O)N(Cc2cccc(F)c2)C1)C1CCCCC1
InChIInChI=1S/C20H27FN2O2/c1-22(18-8-3-2-4-9-18)20(25)16-10-11-19(24)23(14-16)13-15-6-5-7-17(21)12-15/h5-7,12,16,18H,2-4,8-11,13-14H2,1H3
InChIKeyMNDYUHVTDZKPOT-UHFFFAOYSA-N
XLogP3.36
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.45
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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1-Cyclohexyl-4-(1-((4-fluorophenyl)(phenyl)methyl)piperazine-4-carbonyl)pyrrolidin-2-one
CID 16077264
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CID 44590635
(2-Fluorophenyl)-[4-(4-methylpiperidin-1-yl)piperidin-1-yl]methanone
CID 754219
N,N'-Dibenzyl-N,N'-dimethyl-malonamide
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1-Benzyl-4-methyl-3-propylpiperidine-2,6-dione
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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-1-[(3-fluorophenyl)methyl]-N-methyl-6-oxopiperidine-3-carboxamide?
The IUPAC name of N-cyclohexyl-1-[(3-fluorophenyl)methyl]-N-methyl-6-oxopiperidine-3-carboxamide (CID 24817398) is N-cyclohexyl-1-[(3-fluorophenyl)methyl]-N-methyl-6-oxopiperidine-3-carboxamide.
What is the SMILES notation for N-cyclohexyl-1-[(3-fluorophenyl)methyl]-N-methyl-6-oxopiperidine-3-carboxamide?
The canonical SMILES for N-cyclohexyl-1-[(3-fluorophenyl)methyl]-N-methyl-6-oxopiperidine-3-carboxamide is CN(C(=O)C1CCC(=O)N(Cc2cccc(F)c2)C1)C1CCCCC1.
What is the InChIKey of N-cyclohexyl-1-[(3-fluorophenyl)methyl]-N-methyl-6-oxopiperidine-3-carboxamide?
The InChIKey is MNDYUHVTDZKPOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27FN2O2/c1-22(18-8-3-2-4-9-18)20(25)16-10-11-19(24)23(14-16)13-15-6-5-7-17(21)12-15/h5-7,12,16,18H,2-4,8-11,13-14H2,1H3.
What are the key properties of N-cyclohexyl-1-[(3-fluorophenyl)methyl]-N-methyl-6-oxopiperidine-3-carboxamide?
N-cyclohexyl-1-[(3-fluorophenyl)methyl]-N-methyl-6-oxopiperidine-3-carboxamide has a molecular weight of 346.45 g/mol, XLogP of 3.36, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-1-[(3-fluorophenyl)methyl]-N-methyl-6-oxopiperidine-3-carboxamide is sourced from PubChem (CID 24817398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).