1-piperidin-1-yl-3-[4-(pyrazine-2-carbonyl)piperazin-1-yl]propan-1-one

C17H25N5O2 — CID 110664962

IUPAC1-piperidin-1-yl-3-[4-(pyrazine-2-carbonyl)piperazin-1-yl]propan-1-one
SMILESO=C(CCN1CCN(C(=O)c2cnccn2)CC1)N1CCCCC1
InChIInChI=1S/C17H25N5O2/c23-16(21-7-2-1-3-8-21)4-9-20-10-12-22(13-11-20)17(24)15-14-18-5-6-19-15/h5-6,14H,1-4,7-13H2
InChIKeyZMEOTNBTKNBJAM-UHFFFAOYSA-N
MW331.42 g/mol
LogP0.64
Rot. Bonds4

About 1-piperidin-1-yl-3-[4-(pyrazine-2-carbonyl)piperazin-1-yl]propan-1-one

1-piperidin-1-yl-3-[4-(pyrazine-2-carbonyl)piperazin-1-yl]propan-1-one (PubChem CID 110664962) has the molecular formula C17H25N5O2 and a molecular weight of 331.42 g/mol. Its IUPAC name is 1-piperidin-1-yl-3-[4-(pyrazine-2-carbonyl)piperazin-1-yl]propan-1-one.

Molecular Properties

Compound Name1-piperidin-1-yl-3-[4-(pyrazine-2-carbonyl)piperazin-1-yl]propan-1-one
PubChem CID110664962
Molecular FormulaC17H25N5O2
Molecular Weight331.42 g/mol
Exact Mass331.20
IUPAC Name1-piperidin-1-yl-3-[4-(pyrazine-2-carbonyl)piperazin-1-yl]propan-1-one
SMILESO=C(CCN1CCN(C(=O)c2cnccn2)CC1)N1CCCCC1
InChIInChI=1S/C17H25N5O2/c23-16(21-7-2-1-3-8-21)4-9-20-10-12-22(13-11-20)17(24)15-14-18-5-6-19-15/h5-6,14H,1-4,7-13H2
InChIKeyZMEOTNBTKNBJAM-UHFFFAOYSA-N
XLogP0.64
TPSA69.64 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 50.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-methoxy-1-[4-(pyrazine-2-carbonyl)-1,4-diazepan-1-yl]propan-1-one
CID 108547814
3-ethoxy-1-[4-(pyrazine-2-carbonyl)-1,4-diazepan-1-yl]propan-1-one
CID 137340312
[4-(cyclopropylmethyl)-1,4-diazepan-1-yl]-pyrazin-2-ylmethanone
CID 95751558
3-(4-chlorophenyl)-1-[4-(pyrazine-2-carbonyl)piperazin-1-yl]propan-1-one
CID 108536947
4-(4-tert-butylphenoxy)-1-[4-(pyrazine-2-carbonyl)-1,4-diazepan-1-yl]butan-1-one
CID 108546976
1,3-bis(azepan-1-yl)propan-1-one
CID 109033498
1-(pyrazine-2-carbonyl)piperidine-3-carboxylic acid
CID 16776959
1-[4-[4-(pyrazine-2-carbonyl)-1,4-diazepane-1-carbonyl]piperidin-1-yl]ethanone
CID 110816085
[4-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-1,4-diazepan-1-yl]-pyrazin-2-ylmethanone
CID 95752483
[4-[2-(2-phenylimidazol-1-yl)ethyl]piperazin-1-yl]-pyrazin-2-ylmethanone
CID 90560710
[4-[(4-methylsulfanylphenyl)methyl]-1,4-diazepan-1-yl]-pyrazin-2-ylmethanone
CID 138810371
2-(2-methylphenoxy)-1-[4-(pyrazine-2-carbonyl)-1,4-diazepan-1-yl]ethanone
CID 110809800

Frequently Asked Questions

What is the IUPAC name of 1-piperidin-1-yl-3-[4-(pyrazine-2-carbonyl)piperazin-1-yl]propan-1-one?
The IUPAC name of 1-piperidin-1-yl-3-[4-(pyrazine-2-carbonyl)piperazin-1-yl]propan-1-one (CID 110664962) is 1-piperidin-1-yl-3-[4-(pyrazine-2-carbonyl)piperazin-1-yl]propan-1-one.
What is the SMILES notation for 1-piperidin-1-yl-3-[4-(pyrazine-2-carbonyl)piperazin-1-yl]propan-1-one?
The canonical SMILES for 1-piperidin-1-yl-3-[4-(pyrazine-2-carbonyl)piperazin-1-yl]propan-1-one is O=C(CCN1CCN(C(=O)c2cnccn2)CC1)N1CCCCC1.
What is the InChIKey of 1-piperidin-1-yl-3-[4-(pyrazine-2-carbonyl)piperazin-1-yl]propan-1-one?
The InChIKey is ZMEOTNBTKNBJAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N5O2/c23-16(21-7-2-1-3-8-21)4-9-20-10-12-22(13-11-20)17(24)15-14-18-5-6-19-15/h5-6,14H,1-4,7-13H2.
What are the key properties of 1-piperidin-1-yl-3-[4-(pyrazine-2-carbonyl)piperazin-1-yl]propan-1-one?
1-piperidin-1-yl-3-[4-(pyrazine-2-carbonyl)piperazin-1-yl]propan-1-one has a molecular weight of 331.42 g/mol, XLogP of 0.64, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-piperidin-1-yl-3-[4-(pyrazine-2-carbonyl)piperazin-1-yl]propan-1-one is sourced from PubChem (CID 110664962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).