N-ethyl-N-[(3-fluorophenyl)methyl]-4-(methoxymethyl)piperidine-4-carboxamide

C17H25FN2O2 — CID 120618338

IUPACN-ethyl-N-[(3-fluorophenyl)methyl]-4-(methoxymethyl)piperidine-4-carboxamide
SMILESCCN(Cc1cccc(F)c1)C(=O)C1(COC)CCNCC1
InChIInChI=1S/C17H25FN2O2/c1-3-20(12-14-5-4-6-15(18)11-14)16(21)17(13-22-2)7-9-19-10-8-17/h4-6,11,19H,3,7-10,12-13H2,1-2H3
InChIKeyPXOLFZSQVIXGDF-UHFFFAOYSA-N
MW308.40 g/mol
LogP2.19
Rot. Bonds6

About N-ethyl-N-[(3-fluorophenyl)methyl]-4-(methoxymethyl)piperidine-4-carboxamide

N-ethyl-N-[(3-fluorophenyl)methyl]-4-(methoxymethyl)piperidine-4-carboxamide (PubChem CID 120618338) has the molecular formula C17H25FN2O2 and a molecular weight of 308.40 g/mol. Its IUPAC name is N-ethyl-N-[(3-fluorophenyl)methyl]-4-(methoxymethyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-ethyl-N-[(3-fluorophenyl)methyl]-4-(methoxymethyl)piperidine-4-carboxamide
PubChem CID120618338
Molecular FormulaC17H25FN2O2
Molecular Weight308.40 g/mol
Exact Mass308.19
IUPAC NameN-ethyl-N-[(3-fluorophenyl)methyl]-4-(methoxymethyl)piperidine-4-carboxamide
SMILESCCN(Cc1cccc(F)c1)C(=O)C1(COC)CCNCC1
InChIInChI=1S/C17H25FN2O2/c1-3-20(12-14-5-4-6-15(18)11-14)16(21)17(13-22-2)7-9-19-10-8-17/h4-6,11,19H,3,7-10,12-13H2,1-2H3
InChIKeyPXOLFZSQVIXGDF-UHFFFAOYSA-N
XLogP2.19
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.40
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3,4-dichlorophenyl)methyl]-N-ethyl-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride
CID 120624881
1-(aminomethyl)-N-ethyl-N-[(3-fluorophenyl)methyl]cyclopentane-1-carboxamide
CID 81489842
N-ethyl-4-(methoxymethyl)-N-propylpiperidine-4-carboxamide;hydrochloride
CID 120620366
N-ethyl-N-(2-hydroxyethyl)-4-(methoxymethyl)piperidine-4-carboxamide
CID 114042000
3-ethyl-N-[(3-fluorophenyl)methyl]-N-methylpyrrolidine-3-carboxamide
CID 55164556
N-[(3-chlorophenyl)methyl]-N-ethyl-4-methylpiperidine-4-carboxamide
CID 63122209
N-[3-[(3-fluorophenyl)methoxy]phenyl]-4-(methoxymethyl)piperidine-4-carboxamide
CID 120624422
N-(2-ethoxyethyl)-N-ethyl-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride
CID 120626354
2-chloro-N-ethyl-N-[(3-fluorophenyl)methyl]acetamide
CID 9317159
N-[[3-[(dimethylamino)methyl]phenyl]methyl]-4-(methoxymethyl)piperidine-4-carboxamide;dihydrochloride
CID 120641219
4-ethyl-N-[(3-fluorophenyl)methyl]piperidine-4-carboxamide
CID 63127725
3-amino-N-ethyl-N-[(3-fluorophenyl)methyl]-2-methoxypropanamide
CID 106111947

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[(3-fluorophenyl)methyl]-4-(methoxymethyl)piperidine-4-carboxamide?
The IUPAC name of N-ethyl-N-[(3-fluorophenyl)methyl]-4-(methoxymethyl)piperidine-4-carboxamide (CID 120618338) is N-ethyl-N-[(3-fluorophenyl)methyl]-4-(methoxymethyl)piperidine-4-carboxamide.
What is the SMILES notation for N-ethyl-N-[(3-fluorophenyl)methyl]-4-(methoxymethyl)piperidine-4-carboxamide?
The canonical SMILES for N-ethyl-N-[(3-fluorophenyl)methyl]-4-(methoxymethyl)piperidine-4-carboxamide is CCN(Cc1cccc(F)c1)C(=O)C1(COC)CCNCC1.
What is the InChIKey of N-ethyl-N-[(3-fluorophenyl)methyl]-4-(methoxymethyl)piperidine-4-carboxamide?
The InChIKey is PXOLFZSQVIXGDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25FN2O2/c1-3-20(12-14-5-4-6-15(18)11-14)16(21)17(13-22-2)7-9-19-10-8-17/h4-6,11,19H,3,7-10,12-13H2,1-2H3.
What are the key properties of N-ethyl-N-[(3-fluorophenyl)methyl]-4-(methoxymethyl)piperidine-4-carboxamide?
N-ethyl-N-[(3-fluorophenyl)methyl]-4-(methoxymethyl)piperidine-4-carboxamide has a molecular weight of 308.40 g/mol, XLogP of 2.19, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[(3-fluorophenyl)methyl]-4-(methoxymethyl)piperidine-4-carboxamide is sourced from PubChem (CID 120618338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).