1-benzyl-N-(6-fluoro-3,4-dihydro-2H-chromen-3-yl)-4-methylpiperidine-4-carboxamide

C23H27FN2O2 — CID 126805018

IUPAC1-benzyl-N-(6-fluoro-3,4-dihydro-2H-chromen-3-yl)-4-methylpiperidine-4-carboxamide
SMILESCC1(C(=O)NC2COc3ccc(F)cc3C2)CCN(Cc2ccccc2)CC1
InChIInChI=1S/C23H27FN2O2/c1-23(9-11-26(12-10-23)15-17-5-3-2-4-6-17)22(27)25-20-14-18-13-19(24)7-8-21(18)28-16-20/h2-8,13,20H,9-12,14-16H2,1H3,(H,25,27)
InChIKeyDYEDUAZYIRUMCB-UHFFFAOYSA-N
MW382.48 g/mol
LogP3.55
Rot. Bonds4

About 1-benzyl-N-(6-fluoro-3,4-dihydro-2H-chromen-3-yl)-4-methylpiperidine-4-carboxamide

1-benzyl-N-(6-fluoro-3,4-dihydro-2H-chromen-3-yl)-4-methylpiperidine-4-carboxamide (PubChem CID 126805018) has the molecular formula C23H27FN2O2 and a molecular weight of 382.48 g/mol. Its IUPAC name is 1-benzyl-N-(6-fluoro-3,4-dihydro-2H-chromen-3-yl)-4-methylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-benzyl-N-(6-fluoro-3,4-dihydro-2H-chromen-3-yl)-4-methylpiperidine-4-carboxamide
PubChem CID126805018
Molecular FormulaC23H27FN2O2
Molecular Weight382.48 g/mol
Exact Mass382.21
IUPAC Name1-benzyl-N-(6-fluoro-3,4-dihydro-2H-chromen-3-yl)-4-methylpiperidine-4-carboxamide
SMILESCC1(C(=O)NC2COc3ccc(F)cc3C2)CCN(Cc2ccccc2)CC1
InChIInChI=1S/C23H27FN2O2/c1-23(9-11-26(12-10-23)15-17-5-3-2-4-6-17)22(27)25-20-14-18-13-19(24)7-8-21(18)28-16-20/h2-8,13,20H,9-12,14-16H2,1H3,(H,25,27)
InChIKeyDYEDUAZYIRUMCB-UHFFFAOYSA-N
XLogP3.55
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.48
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-benzyl-N-(4-fluoro-2-methylphenyl)-4-methylpiperidine-4-carboxamide
CID 75455668
1-benzyl-N-[4-(hydroxymethyl)cyclohexyl]-4-methylpiperidine-4-carboxamide
CID 86816799
1-[3-(4-benzylpiperazin-1-yl)propyl]-3-[(3S)-3,4-dihydro-2H-chromen-3-yl]urea
CID 92765158
1-(3,4-dihydro-2H-chromen-3-yl)-3-[4-(pyrrolidin-1-ylmethyl)phenyl]urea
CID 22580866
N-(1-benzylpiperidin-4-yl)-3-methylpiperidine-3-carboxamide;dihydrochloride
CID 119946069
[1-[(6-fluoro-3,4-dihydro-2H-chromen-3-yl)carbamoyl]pyrrolidin-3-yl] N,N-dimethylcarbamate
CID 167812670
1-benzyl-N-[(2S)-1-(dimethylamino)-1-oxopropan-2-yl]-4-methylpiperidine-4-carboxamide
CID 126801639
N-benzyl-6-[(4-fluorophenyl)methyl]-6-azaspiro[2.5]octane-2-carboxamide
CID 126462563
ethyl 3-[(1-benzyl-4-methylpiperidine-4-carbonyl)amino]propanoate
CID 75455716
(1R)-N-(1-benzylpiperidin-4-yl)-2,2-dichloro-1-methylcyclopropane-1-carboxamide
CID 2712549
1-benzyl-4-methyl-N-pyrazolo[1,5-a]pyrimidin-7-ylpiperidine-4-carboxamide
CID 86803093
3-(3,3-dimethylbutanoyl)-N-(6-fluoro-3,4-dihydro-2H-chromen-3-yl)-1,3-thiazolidine-4-carboxamide
CID 166213699

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-(6-fluoro-3,4-dihydro-2H-chromen-3-yl)-4-methylpiperidine-4-carboxamide?
The IUPAC name of 1-benzyl-N-(6-fluoro-3,4-dihydro-2H-chromen-3-yl)-4-methylpiperidine-4-carboxamide (CID 126805018) is 1-benzyl-N-(6-fluoro-3,4-dihydro-2H-chromen-3-yl)-4-methylpiperidine-4-carboxamide.
What is the SMILES notation for 1-benzyl-N-(6-fluoro-3,4-dihydro-2H-chromen-3-yl)-4-methylpiperidine-4-carboxamide?
The canonical SMILES for 1-benzyl-N-(6-fluoro-3,4-dihydro-2H-chromen-3-yl)-4-methylpiperidine-4-carboxamide is CC1(C(=O)NC2COc3ccc(F)cc3C2)CCN(Cc2ccccc2)CC1.
What is the InChIKey of 1-benzyl-N-(6-fluoro-3,4-dihydro-2H-chromen-3-yl)-4-methylpiperidine-4-carboxamide?
The InChIKey is DYEDUAZYIRUMCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27FN2O2/c1-23(9-11-26(12-10-23)15-17-5-3-2-4-6-17)22(27)25-20-14-18-13-19(24)7-8-21(18)28-16-20/h2-8,13,20H,9-12,14-16H2,1H3,(H,25,27).
What are the key properties of 1-benzyl-N-(6-fluoro-3,4-dihydro-2H-chromen-3-yl)-4-methylpiperidine-4-carboxamide?
1-benzyl-N-(6-fluoro-3,4-dihydro-2H-chromen-3-yl)-4-methylpiperidine-4-carboxamide has a molecular weight of 382.48 g/mol, XLogP of 3.55, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-(6-fluoro-3,4-dihydro-2H-chromen-3-yl)-4-methylpiperidine-4-carboxamide is sourced from PubChem (CID 126805018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).