N-(furan-2-ylmethyl)-N-(1-methylpiperidin-4-yl)-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide

C19H28F3N3O2 — CID 136578968

IUPACN-(furan-2-ylmethyl)-N-(1-methylpiperidin-4-yl)-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
SMILESCN1CCC(N(Cc2ccco2)C(=O)C2CCCN(CC(F)(F)F)C2)CC1
InChIInChI=1S/C19H28F3N3O2/c1-23-9-6-16(7-10-23)25(13-17-5-3-11-27-17)18(26)15-4-2-8-24(12-15)14-19(20,21)22/h3,5,11,15-16H,2,4,6-10,12-14H2,1H3
InChIKeyMEJOHGFYZRRGKZ-UHFFFAOYSA-N
MW387.45 g/mol
LogP2.98
Rot. Bonds5

About N-(furan-2-ylmethyl)-N-(1-methylpiperidin-4-yl)-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide

N-(furan-2-ylmethyl)-N-(1-methylpiperidin-4-yl)-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide (PubChem CID 136578968) has the molecular formula C19H28F3N3O2 and a molecular weight of 387.45 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-N-(1-methylpiperidin-4-yl)-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-N-(1-methylpiperidin-4-yl)-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
PubChem CID136578968
Molecular FormulaC19H28F3N3O2
Molecular Weight387.45 g/mol
Exact Mass387.21
IUPAC NameN-(furan-2-ylmethyl)-N-(1-methylpiperidin-4-yl)-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
SMILESCN1CCC(N(Cc2ccco2)C(=O)C2CCCN(CC(F)(F)F)C2)CC1
InChIInChI=1S/C19H28F3N3O2/c1-23-9-6-16(7-10-23)25(13-17-5-3-11-27-17)18(26)15-4-2-8-24(12-15)14-19(20,21)22/h3,5,11,15-16H,2,4,6-10,12-14H2,1H3
InChIKeyMEJOHGFYZRRGKZ-UHFFFAOYSA-N
XLogP2.98
TPSA39.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.45
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-(furan-2-ylmethyl)-N-(1-methylpiperidin-4-yl)-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide with MolForge

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Related Compounds

cis-(1R,2S)-N-(furan-2-ylmethyl)-N-(1-methylpiperidin-4-yl)-2-phenylcyclopropane-1-carboxamide
CID 96998764
1-(2-ethylphenyl)-N-(furan-2-ylmethyl)-N-(1-methylpiperidin-4-yl)-5-oxopyrrolidine-3-carboxamide
CID 112819886
(3S)-N,N-diethyl-1-(furan-2-ylmethyl)piperidine-3-carboxamide
CID 764291
1-(furan-2-ylmethyl)-N-methyl-N-(thian-4-yl)piperidine-3-carboxamide
CID 72881872
4-[cyclopropyl(furan-2-ylmethyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 63782822
N-(1,1-dioxothiolan-3-yl)-N-(furan-2-ylmethyl)cyclohexanecarboxamide
CID 102565822
(3R)-1-(furan-2-ylmethyl)-N-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]piperidine-3-carboxamide
CID 99940335
N-cyclopentyl-N-(furan-2-ylmethyl)-2-methylpiperidine-4-carboxamide
CID 106739346
methyl 4-[[methyl-[(3R)-1-(2,2,2-trifluoroethyl)piperidine-3-carbonyl]amino]methyl]benzoate
CID 97061327
2-amino-N-cyclopropyl-3,3,3-trifluoro-N-(furan-2-ylmethyl)-2-methylpropanamide
CID 79805488
N,N-bis(furan-2-ylmethyl)-1-(oxan-4-yl)piperidine-3-carboxamide
CID 74247687
N-(furan-2-ylmethyl)-2-(3-hydroxypiperidin-1-yl)-N-methylacetamide
CID 60642561

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-N-(1-methylpiperidin-4-yl)-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide?
The IUPAC name of N-(furan-2-ylmethyl)-N-(1-methylpiperidin-4-yl)-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide (CID 136578968) is N-(furan-2-ylmethyl)-N-(1-methylpiperidin-4-yl)-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-N-(1-methylpiperidin-4-yl)-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide?
The canonical SMILES for N-(furan-2-ylmethyl)-N-(1-methylpiperidin-4-yl)-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide is CN1CCC(N(Cc2ccco2)C(=O)C2CCCN(CC(F)(F)F)C2)CC1.
What is the InChIKey of N-(furan-2-ylmethyl)-N-(1-methylpiperidin-4-yl)-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide?
The InChIKey is MEJOHGFYZRRGKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28F3N3O2/c1-23-9-6-16(7-10-23)25(13-17-5-3-11-27-17)18(26)15-4-2-8-24(12-15)14-19(20,21)22/h3,5,11,15-16H,2,4,6-10,12-14H2,1H3.
What are the key properties of N-(furan-2-ylmethyl)-N-(1-methylpiperidin-4-yl)-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide?
N-(furan-2-ylmethyl)-N-(1-methylpiperidin-4-yl)-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide has a molecular weight of 387.45 g/mol, XLogP of 2.98, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-N-(1-methylpiperidin-4-yl)-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide is sourced from PubChem (CID 136578968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).