N,4-diethyl-N-[(3-fluorophenyl)methyl]piperidine-2-carboxamide

C17H25FN2O — CID 114428396

IUPACN,4-diethyl-N-[(3-fluorophenyl)methyl]piperidine-2-carboxamide
SMILESCCC1CCNC(C(=O)N(CC)Cc2cccc(F)c2)C1
InChIInChI=1S/C17H25FN2O/c1-3-13-8-9-19-16(11-13)17(21)20(4-2)12-14-6-5-7-15(18)10-14/h5-7,10,13,16,19H,3-4,8-9,11-12H2,1-2H3
InChIKeyJAJPGLWSBYRJPP-UHFFFAOYSA-N
MW292.40 g/mol
LogP2.95
Rot. Bonds5

About N,4-diethyl-N-[(3-fluorophenyl)methyl]piperidine-2-carboxamide

N,4-diethyl-N-[(3-fluorophenyl)methyl]piperidine-2-carboxamide (PubChem CID 114428396) has the molecular formula C17H25FN2O and a molecular weight of 292.40 g/mol. Its IUPAC name is N,4-diethyl-N-[(3-fluorophenyl)methyl]piperidine-2-carboxamide.

Molecular Properties

Compound NameN,4-diethyl-N-[(3-fluorophenyl)methyl]piperidine-2-carboxamide
PubChem CID114428396
Molecular FormulaC17H25FN2O
Molecular Weight292.40 g/mol
Exact Mass292.20
IUPAC NameN,4-diethyl-N-[(3-fluorophenyl)methyl]piperidine-2-carboxamide
SMILESCCC1CCNC(C(=O)N(CC)Cc2cccc(F)c2)C1
InChIInChI=1S/C17H25FN2O/c1-3-13-8-9-19-16(11-13)17(21)20(4-2)12-14-6-5-7-15(18)10-14/h5-7,10,13,16,19H,3-4,8-9,11-12H2,1-2H3
InChIKeyJAJPGLWSBYRJPP-UHFFFAOYSA-N
XLogP2.95
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.40
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-N-ethyl-N-[(3-fluorophenyl)methyl]cyclopropane-1-carboxamide
CID 55036056
3-[ethyl-[(3-fluorophenyl)methyl]carbamoyl]cyclopentane-1-carboxylic acid
CID 103550301
trans-(1S,2S)-2-amino-N-ethyl-N-[(3-fluorophenyl)methyl]cyclopentane-1-carboxamide
CID 97033071
2-chloro-N-ethyl-N-[(3-fluorophenyl)methyl]acetamide
CID 9317159
3-cyclopentyl-1-ethyl-1-[(3-fluorophenyl)methyl]urea
CID 38162216
(2S,4S)-N-cyclopropyl-N-[(3-fluorophenyl)methyl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120621340
N,N-dibutyl-4-ethylpiperidine-2-carboxamide
CID 114428005
4-ethyl-N-methyl-N-[(6-methyl-2-pyridinyl)methyl]piperidine-2-carboxamide
CID 114429311
N-(2,6-difluorophenyl)-4-ethylpiperidine-2-carboxamide
CID 114428002
N,4-diethyl-N-(4-methylphenyl)piperidine-2-carboxamide
CID 114428881
N-[(2,6-difluorophenyl)methyl]-N-ethylpiperidine-2-carboxamide
CID 119314243
1-(aminomethyl)-N-ethyl-N-[(3-fluorophenyl)methyl]cyclopentane-1-carboxamide
CID 81489842

Frequently Asked Questions

What is the IUPAC name of N,4-diethyl-N-[(3-fluorophenyl)methyl]piperidine-2-carboxamide?
The IUPAC name of N,4-diethyl-N-[(3-fluorophenyl)methyl]piperidine-2-carboxamide (CID 114428396) is N,4-diethyl-N-[(3-fluorophenyl)methyl]piperidine-2-carboxamide.
What is the SMILES notation for N,4-diethyl-N-[(3-fluorophenyl)methyl]piperidine-2-carboxamide?
The canonical SMILES for N,4-diethyl-N-[(3-fluorophenyl)methyl]piperidine-2-carboxamide is CCC1CCNC(C(=O)N(CC)Cc2cccc(F)c2)C1.
What is the InChIKey of N,4-diethyl-N-[(3-fluorophenyl)methyl]piperidine-2-carboxamide?
The InChIKey is JAJPGLWSBYRJPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25FN2O/c1-3-13-8-9-19-16(11-13)17(21)20(4-2)12-14-6-5-7-15(18)10-14/h5-7,10,13,16,19H,3-4,8-9,11-12H2,1-2H3.
What are the key properties of N,4-diethyl-N-[(3-fluorophenyl)methyl]piperidine-2-carboxamide?
N,4-diethyl-N-[(3-fluorophenyl)methyl]piperidine-2-carboxamide has a molecular weight of 292.40 g/mol, XLogP of 2.95, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-diethyl-N-[(3-fluorophenyl)methyl]piperidine-2-carboxamide is sourced from PubChem (CID 114428396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).