N-[2-[(4-fluorophenyl)methyl-methylamino]ethyl]piperidine-3-carboxamide

C16H24FN3O — CID 119896338

IUPACN-[2-[(4-fluorophenyl)methyl-methylamino]ethyl]piperidine-3-carboxamide
SMILESCN(CCNC(=O)C1CCCNC1)Cc1ccc(F)cc1
InChIInChI=1S/C16H24FN3O/c1-20(12-13-4-6-15(17)7-5-13)10-9-19-16(21)14-3-2-8-18-11-14/h4-7,14,18H,2-3,8-12H2,1H3,(H,19,21)
InChIKeyKWXKIQMPWMHDKO-UHFFFAOYSA-N
MW293.39 g/mol
LogP1.37
Rot. Bonds6

About N-[2-[(4-fluorophenyl)methyl-methylamino]ethyl]piperidine-3-carboxamide

N-[2-[(4-fluorophenyl)methyl-methylamino]ethyl]piperidine-3-carboxamide (PubChem CID 119896338) has the molecular formula C16H24FN3O and a molecular weight of 293.39 g/mol. Its IUPAC name is N-[2-[(4-fluorophenyl)methyl-methylamino]ethyl]piperidine-3-carboxamide.

Molecular Properties

Compound NameN-[2-[(4-fluorophenyl)methyl-methylamino]ethyl]piperidine-3-carboxamide
PubChem CID119896338
Molecular FormulaC16H24FN3O
Molecular Weight293.39 g/mol
Exact Mass293.19
IUPAC NameN-[2-[(4-fluorophenyl)methyl-methylamino]ethyl]piperidine-3-carboxamide
SMILESCN(CCNC(=O)C1CCCNC1)Cc1ccc(F)cc1
InChIInChI=1S/C16H24FN3O/c1-20(12-13-4-6-15(17)7-5-13)10-9-19-16(21)14-3-2-8-18-11-14/h4-7,14,18H,2-3,8-12H2,1H3,(H,19,21)
InChIKeyKWXKIQMPWMHDKO-UHFFFAOYSA-N
XLogP1.37
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.39
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[benzyl(methyl)amino]ethyl]pyrrolidine-3-carboxamide
CID 119862283
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CID 81140340
N-[(4-fluorophenyl)methyl]-N-methylpiperidine-3-carboxamide
CID 43579181
(3R)-N-[2-(4-fluoro-2-methylphenyl)ethyl]piperidine-3-carboxamide
CID 81134243
N-[2-[(4-fluorobenzoyl)amino]ethyl]piperidine-3-carboxamide;hydrochloride
CID 119299562
N-[2-(4-methylsulfanylphenyl)ethyl]piperidine-3-carboxamide
CID 110482448
N-[2-(3-fluorophenyl)ethyl]piperidine-3-carboxamide
CID 43566290
N-[2-[(4-fluorophenyl)methyl-methylsulfonylamino]ethyl]cyclobutanecarboxamide
CID 113066986
N-cyclopropyl-N-[(4-fluorophenyl)methyl]piperidine-3-carboxamide
CID 60937275
N-[2-(4-hydroxyphenyl)ethyl]piperidine-3-carboxamide
CID 61238567
(3S)-N-[2-(dimethylcarbamoylamino)ethyl]piperidine-3-carboxamide
CID 83111640
N-[(4-methylphenyl)methyl]piperidine-3-carboxamide
CID 18073073

Frequently Asked Questions

What is the IUPAC name of N-[2-[(4-fluorophenyl)methyl-methylamino]ethyl]piperidine-3-carboxamide?
The IUPAC name of N-[2-[(4-fluorophenyl)methyl-methylamino]ethyl]piperidine-3-carboxamide (CID 119896338) is N-[2-[(4-fluorophenyl)methyl-methylamino]ethyl]piperidine-3-carboxamide.
What is the SMILES notation for N-[2-[(4-fluorophenyl)methyl-methylamino]ethyl]piperidine-3-carboxamide?
The canonical SMILES for N-[2-[(4-fluorophenyl)methyl-methylamino]ethyl]piperidine-3-carboxamide is CN(CCNC(=O)C1CCCNC1)Cc1ccc(F)cc1.
What is the InChIKey of N-[2-[(4-fluorophenyl)methyl-methylamino]ethyl]piperidine-3-carboxamide?
The InChIKey is KWXKIQMPWMHDKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24FN3O/c1-20(12-13-4-6-15(17)7-5-13)10-9-19-16(21)14-3-2-8-18-11-14/h4-7,14,18H,2-3,8-12H2,1H3,(H,19,21).
What are the key properties of N-[2-[(4-fluorophenyl)methyl-methylamino]ethyl]piperidine-3-carboxamide?
N-[2-[(4-fluorophenyl)methyl-methylamino]ethyl]piperidine-3-carboxamide has a molecular weight of 293.39 g/mol, XLogP of 1.37, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(4-fluorophenyl)methyl-methylamino]ethyl]piperidine-3-carboxamide is sourced from PubChem (CID 119896338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).