N-[[4-(difluoromethoxy)phenyl]methyl]-1-(4-fluorobenzoyl)-N-methylpiperidine-4-carboxamide

C22H23F3N2O3 — CID 31238759

IUPACN-[[4-(difluoromethoxy)phenyl]methyl]-1-(4-fluorobenzoyl)-N-methylpiperidine-4-carboxamide
SMILESCN(Cc1ccc(OC(F)F)cc1)C(=O)C1CCN(C(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C22H23F3N2O3/c1-26(14-15-2-8-19(9-3-15)30-22(24)25)20(28)17-10-12-27(13-11-17)21(29)16-4-6-18(23)7-5-16/h2-9,17,22H,10-14H2,1H3
InChIKeyDMSISGZHVYGIFI-UHFFFAOYSA-N
MW420.43 g/mol
LogP3.94
Rot. Bonds6

About N-[[4-(difluoromethoxy)phenyl]methyl]-1-(4-fluorobenzoyl)-N-methylpiperidine-4-carboxamide

N-[[4-(difluoromethoxy)phenyl]methyl]-1-(4-fluorobenzoyl)-N-methylpiperidine-4-carboxamide (PubChem CID 31238759) has the molecular formula C22H23F3N2O3 and a molecular weight of 420.43 g/mol. Its IUPAC name is N-[[4-(difluoromethoxy)phenyl]methyl]-1-(4-fluorobenzoyl)-N-methylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[[4-(difluoromethoxy)phenyl]methyl]-1-(4-fluorobenzoyl)-N-methylpiperidine-4-carboxamide
PubChem CID31238759
Molecular FormulaC22H23F3N2O3
Molecular Weight420.43 g/mol
Exact Mass420.17
IUPAC NameN-[[4-(difluoromethoxy)phenyl]methyl]-1-(4-fluorobenzoyl)-N-methylpiperidine-4-carboxamide
SMILESCN(Cc1ccc(OC(F)F)cc1)C(=O)C1CCN(C(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C22H23F3N2O3/c1-26(14-15-2-8-19(9-3-15)30-22(24)25)20(28)17-10-12-27(13-11-17)21(29)16-4-6-18(23)7-5-16/h2-9,17,22H,10-14H2,1H3
InChIKeyDMSISGZHVYGIFI-UHFFFAOYSA-N
XLogP3.94
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.43
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl 4-[[4-(difluoromethoxy)phenyl]methyl-methylcarbamoyl]piperidine-1-carboxylate
CID 134059870
[4-(difluoromethoxy)phenyl]-[4-(4-fluorobenzoyl)piperazin-1-yl]methanone
CID 38387477
(4-chloropiperidin-1-yl)-[4-(difluoromethoxy)phenyl]methanone
CID 63390547
1-(3,5-dimethoxybenzoyl)-N-[(4-methoxyphenyl)methyl]-N-methylpiperidine-4-carboxamide
CID 55719859
[4-(difluoromethoxy)phenyl]-[4-(methylaminomethyl)piperidin-1-yl]methanone
CID 63251080
[1-[4-(difluoromethoxy)benzoyl]piperidin-4-yl]-pyrrolidin-1-ylmethanone
CID 134026644
1-[[4-(difluoromethoxy)phenyl]methyl]-3-[(4-fluorobenzoyl)amino]-1-methylurea
CID 86916189
N-benzyl-1-(4-chlorobenzoyl)-N-methylpiperidine-4-carboxamide
CID 17119215
1-(2-cyanophenyl)sulfonyl-N-[[4-(difluoromethoxy)phenyl]methyl]-N-methylpiperidine-4-carboxamide
CID 24503398
1-(4-bromobenzoyl)-N-[(4-cyanophenyl)methyl]-N-methylpiperidine-4-carboxamide
CID 39859932
2-(4-benzoylpiperazin-1-yl)-N-[[4-(difluoromethoxy)phenyl]methyl]-N-methylacetamide;oxalic acid
CID 42913906
[4-(difluoromethoxy)phenyl]-[4-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119559882

Frequently Asked Questions

What is the IUPAC name of N-[[4-(difluoromethoxy)phenyl]methyl]-1-(4-fluorobenzoyl)-N-methylpiperidine-4-carboxamide?
The IUPAC name of N-[[4-(difluoromethoxy)phenyl]methyl]-1-(4-fluorobenzoyl)-N-methylpiperidine-4-carboxamide (CID 31238759) is N-[[4-(difluoromethoxy)phenyl]methyl]-1-(4-fluorobenzoyl)-N-methylpiperidine-4-carboxamide.
What is the SMILES notation for N-[[4-(difluoromethoxy)phenyl]methyl]-1-(4-fluorobenzoyl)-N-methylpiperidine-4-carboxamide?
The canonical SMILES for N-[[4-(difluoromethoxy)phenyl]methyl]-1-(4-fluorobenzoyl)-N-methylpiperidine-4-carboxamide is CN(Cc1ccc(OC(F)F)cc1)C(=O)C1CCN(C(=O)c2ccc(F)cc2)CC1.
What is the InChIKey of N-[[4-(difluoromethoxy)phenyl]methyl]-1-(4-fluorobenzoyl)-N-methylpiperidine-4-carboxamide?
The InChIKey is DMSISGZHVYGIFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23F3N2O3/c1-26(14-15-2-8-19(9-3-15)30-22(24)25)20(28)17-10-12-27(13-11-17)21(29)16-4-6-18(23)7-5-16/h2-9,17,22H,10-14H2,1H3.
What are the key properties of N-[[4-(difluoromethoxy)phenyl]methyl]-1-(4-fluorobenzoyl)-N-methylpiperidine-4-carboxamide?
N-[[4-(difluoromethoxy)phenyl]methyl]-1-(4-fluorobenzoyl)-N-methylpiperidine-4-carboxamide has a molecular weight of 420.43 g/mol, XLogP of 3.94, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(difluoromethoxy)phenyl]methyl]-1-(4-fluorobenzoyl)-N-methylpiperidine-4-carboxamide is sourced from PubChem (CID 31238759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).