4-ethyl-N-[(1S)-1-(2-fluoro-6-methoxyphenyl)ethyl]piperazine-1-carboxamide

C16H24FN3O2 — CID 95968299

IUPAC4-ethyl-N-[(1S)-1-(2-fluoro-6-methoxyphenyl)ethyl]piperazine-1-carboxamide
SMILESCCN1CCN(C(=O)N[C@@H](C)c2c(F)cccc2OC)CC1
InChIInChI=1S/C16H24FN3O2/c1-4-19-8-10-20(11-9-19)16(21)18-12(2)15-13(17)6-5-7-14(15)22-3/h5-7,12H,4,8-11H2,1-3H3,(H,18,21)/t12-/m0/s1
InChIKeyZVJJTBHWAGVITJ-LBPRGKRZSA-N
MW309.38 g/mol
LogP2.24
Rot. Bonds4

About 4-ethyl-N-[(1S)-1-(2-fluoro-6-methoxyphenyl)ethyl]piperazine-1-carboxamide

4-ethyl-N-[(1S)-1-(2-fluoro-6-methoxyphenyl)ethyl]piperazine-1-carboxamide (PubChem CID 95968299) has the molecular formula C16H24FN3O2 and a molecular weight of 309.38 g/mol. Its IUPAC name is 4-ethyl-N-[(1S)-1-(2-fluoro-6-methoxyphenyl)ethyl]piperazine-1-carboxamide.

Molecular Properties

Compound Name4-ethyl-N-[(1S)-1-(2-fluoro-6-methoxyphenyl)ethyl]piperazine-1-carboxamide
PubChem CID95968299
Molecular FormulaC16H24FN3O2
Molecular Weight309.38 g/mol
Exact Mass309.19
IUPAC Name4-ethyl-N-[(1S)-1-(2-fluoro-6-methoxyphenyl)ethyl]piperazine-1-carboxamide
SMILESCCN1CCN(C(=O)N[C@@H](C)c2c(F)cccc2OC)CC1
InChIInChI=1S/C16H24FN3O2/c1-4-19-8-10-20(11-9-19)16(21)18-12(2)15-13(17)6-5-7-14(15)22-3/h5-7,12H,4,8-11H2,1-3H3,(H,18,21)/t12-/m0/s1
InChIKeyZVJJTBHWAGVITJ-LBPRGKRZSA-N
XLogP2.24
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.38
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(5-chloro-2-pyridinyl)-N-[(1S)-1-(2-fluoro-6-methoxyphenyl)ethyl]piperazine-1-carboxamide
CID 96519241
N-[1-(2-fluoro-6-methoxyphenyl)ethyl]-1,9-dioxa-4-azaspiro[5.5]undecane-4-carboxamide
CID 126783733
(3R)-3-(dimethylamino)-N-[(1S)-1-(2-fluoro-6-methoxyphenyl)ethyl]piperidine-1-carboxamide
CID 96565751
N-(2,6-dimethoxyphenyl)-4-ethylpiperazine-1-carboxamide
CID 108867993
(3S)-3-ethyl-N-[(1R)-1-(2-fluoro-6-methoxyphenyl)ethyl]morpholine-4-carboxamide
CID 95968272
3-amino-N-[1-(2-fluoro-6-methoxyphenyl)ethyl]propanamide;hydrochloride
CID 119335125
3-amino-N-[1-(2-fluoro-6-methoxyphenyl)ethyl]-2-methylbutanamide;hydrochloride
CID 120501620
(2R)-2-amino-N-[1-(2-fluoro-6-methoxyphenyl)ethyl]propanamide;hydrochloride
CID 119335139
1-[1-(2-fluoro-6-methoxyphenyl)ethyl]-3-(2-hydroxyethyl)urea
CID 111474132
N-[1-(2-fluoro-6-methoxyphenyl)ethyl]-2-methyl-3-(methylamino)propanamide;hydrochloride
CID 119803793
3-[(1S)-1-(2-fluoro-6-methoxyphenyl)ethyl]-1-methyl-1-[(2S)-1-methylsulfanylpropan-2-yl]urea
CID 96565746
N-[(1-ethylpyrrolidin-3-yl)methyl]-1-(2-fluoro-6-methoxyphenyl)ethanamine
CID 115710006

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-[(1S)-1-(2-fluoro-6-methoxyphenyl)ethyl]piperazine-1-carboxamide?
The IUPAC name of 4-ethyl-N-[(1S)-1-(2-fluoro-6-methoxyphenyl)ethyl]piperazine-1-carboxamide (CID 95968299) is 4-ethyl-N-[(1S)-1-(2-fluoro-6-methoxyphenyl)ethyl]piperazine-1-carboxamide.
What is the SMILES notation for 4-ethyl-N-[(1S)-1-(2-fluoro-6-methoxyphenyl)ethyl]piperazine-1-carboxamide?
The canonical SMILES for 4-ethyl-N-[(1S)-1-(2-fluoro-6-methoxyphenyl)ethyl]piperazine-1-carboxamide is CCN1CCN(C(=O)N[C@@H](C)c2c(F)cccc2OC)CC1.
What is the InChIKey of 4-ethyl-N-[(1S)-1-(2-fluoro-6-methoxyphenyl)ethyl]piperazine-1-carboxamide?
The InChIKey is ZVJJTBHWAGVITJ-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H24FN3O2/c1-4-19-8-10-20(11-9-19)16(21)18-12(2)15-13(17)6-5-7-14(15)22-3/h5-7,12H,4,8-11H2,1-3H3,(H,18,21)/t12-/m0/s1.
What are the key properties of 4-ethyl-N-[(1S)-1-(2-fluoro-6-methoxyphenyl)ethyl]piperazine-1-carboxamide?
4-ethyl-N-[(1S)-1-(2-fluoro-6-methoxyphenyl)ethyl]piperazine-1-carboxamide has a molecular weight of 309.38 g/mol, XLogP of 2.24, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-[(1S)-1-(2-fluoro-6-methoxyphenyl)ethyl]piperazine-1-carboxamide is sourced from PubChem (CID 95968299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).