N-[3-[4-(2-fluorophenyl)piperazin-1-yl]-3-oxopropyl]-5-methyl-N-propylpyrazine-2-carboxamide

C22H28FN5O2 — CID 5151128

IUPACN-[3-[4-(2-fluorophenyl)piperazin-1-yl]-3-oxopropyl]-5-methyl-N-propylpyrazine-2-carboxamide
SMILESCCCN(CCC(=O)N1CCN(c2ccccc2F)CC1)C(=O)c1cnc(C)cn1
InChIInChI=1S/C22H28FN5O2/c1-3-9-28(22(30)19-16-24-17(2)15-25-19)10-8-21(29)27-13-11-26(12-14-27)20-7-5-4-6-18(20)23/h4-7,15-16H,3,8-14H2,1-2H3
InChIKeyOXSLQGPCAANHFO-UHFFFAOYSA-N
MW413.50 g/mol
LogP2.52
Rot. Bonds7

About N-[3-[4-(2-fluorophenyl)piperazin-1-yl]-3-oxopropyl]-5-methyl-N-propylpyrazine-2-carboxamide

N-[3-[4-(2-fluorophenyl)piperazin-1-yl]-3-oxopropyl]-5-methyl-N-propylpyrazine-2-carboxamide (PubChem CID 5151128) has the molecular formula C22H28FN5O2 and a molecular weight of 413.50 g/mol. Its IUPAC name is N-[3-[4-(2-fluorophenyl)piperazin-1-yl]-3-oxopropyl]-5-methyl-N-propylpyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[3-[4-(2-fluorophenyl)piperazin-1-yl]-3-oxopropyl]-5-methyl-N-propylpyrazine-2-carboxamide
PubChem CID5151128
Molecular FormulaC22H28FN5O2
Molecular Weight413.50 g/mol
Exact Mass413.22
IUPAC NameN-[3-[4-(2-fluorophenyl)piperazin-1-yl]-3-oxopropyl]-5-methyl-N-propylpyrazine-2-carboxamide
SMILESCCCN(CCC(=O)N1CCN(c2ccccc2F)CC1)C(=O)c1cnc(C)cn1
InChIInChI=1S/C22H28FN5O2/c1-3-9-28(22(30)19-16-24-17(2)15-25-19)10-8-21(29)27-13-11-26(12-14-27)20-7-5-4-6-18(20)23/h4-7,15-16H,3,8-14H2,1-2H3
InChIKeyOXSLQGPCAANHFO-UHFFFAOYSA-N
XLogP2.52
TPSA69.64 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.50
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-[4-(2-fluorophenyl)piperazin-1-yl]-3-oxopropyl]-5-methyl-N-(2-morpholin-4-ylethyl)pyrazine-2-carboxamide
CID 1026200
N-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]-5-methyl-N-propylpyrazine-2-carboxamide
CID 3533297
ethyl 4-[3-[(5-methylpyrazine-2-carbonyl)-propylamino]propanoyl]piperazine-1-carboxylate
CID 4658031
N-[3-[4-(2-ethoxyphenyl)piperazin-1-yl]-3-oxopropyl]-N-(2-methoxyethyl)-5-methylpyrazine-2-carboxamide
CID 4182971
N-[3-[4-(2-fluorophenyl)piperazin-1-yl]-3-oxopropyl]-N-(3-methoxypropyl)pyrazine-2-carboxamide
CID 42783180
N-benzyl-N-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]-5-methylpyrazine-2-carboxamide
CID 1026347
N-[3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-3-oxopropyl]-5-methyl-N-propylpyrazine-2-carboxamide
CID 3484696
N-[3-[4-(2-chlorophenyl)piperazin-1-yl]-3-oxopropyl]-N-(furan-2-ylmethyl)-5-methylpyrazine-2-carboxamide
CID 1026321
N-ethyl-5-methyl-N-(3-oxo-3-piperidin-1-ylpropyl)pyrazine-2-carboxamide
CID 7397043
2-[4-(2-fluorophenyl)piperazine-1-carbonyl]-N,N-dipropylcyclopropane-1-carboxamide
CID 109139092
1-[4-(2-fluorophenyl)piperazin-1-yl]heptan-1-one
CID 3309376
N-[3-(4-ethylpiperazin-4-ium-1-yl)-3-oxopropyl]-5-methyl-N-(3-methylbutyl)pyrazine-2-carboxamide
CID 7226719

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-(2-fluorophenyl)piperazin-1-yl]-3-oxopropyl]-5-methyl-N-propylpyrazine-2-carboxamide?
The IUPAC name of N-[3-[4-(2-fluorophenyl)piperazin-1-yl]-3-oxopropyl]-5-methyl-N-propylpyrazine-2-carboxamide (CID 5151128) is N-[3-[4-(2-fluorophenyl)piperazin-1-yl]-3-oxopropyl]-5-methyl-N-propylpyrazine-2-carboxamide.
What is the SMILES notation for N-[3-[4-(2-fluorophenyl)piperazin-1-yl]-3-oxopropyl]-5-methyl-N-propylpyrazine-2-carboxamide?
The canonical SMILES for N-[3-[4-(2-fluorophenyl)piperazin-1-yl]-3-oxopropyl]-5-methyl-N-propylpyrazine-2-carboxamide is CCCN(CCC(=O)N1CCN(c2ccccc2F)CC1)C(=O)c1cnc(C)cn1.
What is the InChIKey of N-[3-[4-(2-fluorophenyl)piperazin-1-yl]-3-oxopropyl]-5-methyl-N-propylpyrazine-2-carboxamide?
The InChIKey is OXSLQGPCAANHFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28FN5O2/c1-3-9-28(22(30)19-16-24-17(2)15-25-19)10-8-21(29)27-13-11-26(12-14-27)20-7-5-4-6-18(20)23/h4-7,15-16H,3,8-14H2,1-2H3.
What are the key properties of N-[3-[4-(2-fluorophenyl)piperazin-1-yl]-3-oxopropyl]-5-methyl-N-propylpyrazine-2-carboxamide?
N-[3-[4-(2-fluorophenyl)piperazin-1-yl]-3-oxopropyl]-5-methyl-N-propylpyrazine-2-carboxamide has a molecular weight of 413.50 g/mol, XLogP of 2.52, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-(2-fluorophenyl)piperazin-1-yl]-3-oxopropyl]-5-methyl-N-propylpyrazine-2-carboxamide is sourced from PubChem (CID 5151128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).