4-piperidin-1-yl-1-[4-(1H-1,2,4-triazole-5-carbonyl)piperazin-1-yl]butan-1-one

C16H26N6O2 — CID 72873031

IUPAC4-piperidin-1-yl-1-[4-(1H-1,2,4-triazole-5-carbonyl)piperazin-1-yl]butan-1-one
SMILESO=C(CCCN1CCCCC1)N1CCN(C(=O)c2ncn[nH]2)CC1
InChIInChI=1S/C16H26N6O2/c23-14(5-4-8-20-6-2-1-3-7-20)21-9-11-22(12-10-21)16(24)15-17-13-18-19-15/h13H,1-12H2,(H,17,18,19)
InChIKeyJLLJVFFRHMARNO-UHFFFAOYSA-N
MW334.42 g/mol
LogP0.36
Rot. Bonds5

About 4-piperidin-1-yl-1-[4-(1H-1,2,4-triazole-5-carbonyl)piperazin-1-yl]butan-1-one

4-piperidin-1-yl-1-[4-(1H-1,2,4-triazole-5-carbonyl)piperazin-1-yl]butan-1-one (PubChem CID 72873031) has the molecular formula C16H26N6O2 and a molecular weight of 334.42 g/mol. Its IUPAC name is 4-piperidin-1-yl-1-[4-(1H-1,2,4-triazole-5-carbonyl)piperazin-1-yl]butan-1-one.

Molecular Properties

Compound Name4-piperidin-1-yl-1-[4-(1H-1,2,4-triazole-5-carbonyl)piperazin-1-yl]butan-1-one
PubChem CID72873031
Molecular FormulaC16H26N6O2
Molecular Weight334.42 g/mol
Exact Mass334.21
IUPAC Name4-piperidin-1-yl-1-[4-(1H-1,2,4-triazole-5-carbonyl)piperazin-1-yl]butan-1-one
SMILESO=C(CCCN1CCCCC1)N1CCN(C(=O)c2ncn[nH]2)CC1
InChIInChI=1S/C16H26N6O2/c23-14(5-4-8-20-6-2-1-3-7-20)21-9-11-22(12-10-21)16(24)15-17-13-18-19-15/h13H,1-12H2,(H,17,18,19)
InChIKeyJLLJVFFRHMARNO-UHFFFAOYSA-N
XLogP0.36
TPSA85.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 50.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-piperidin-1-yl-1-[4-(1H-1,2,4-triazole-5-carbonyl)piperazin-1-yl]butan-1-one with MolForge

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Related Compounds

1-[4-(1-piperidinyl)butanoyl]-4-(4H-1,2,4-triazol-3-yl)piperidine
CID 72871952
(3,3-difluoropiperidin-1-yl)-(1H-1,2,4-triazol-5-yl)methanone
CID 145336263
N-(1-(4-aminobutanoyl)piperidin-4-yl)-4H-1,2,4-triazole-3-carboxamide
CID 118946460
N-(1-(3-aminopropanoyl)piperidin-4-yl)-4H-1,2,4-triazole-3-carboxamide
CID 132219893
N-(1-(2-(piperidin-4-yl)acetyl)piperidin-4-yl)-4H-1,2,4-triazole-3-carboxamide
CID 132227966
N-((1r,4r)-4-(4-aminobutanamido)cyclohexyl)-4H-1,2,4-triazole-3-carboxamide
CID 132228064
(3-methylpiperidin-1-yl)-(1H-1,2,4-triazol-5-yl)methanone
CID 5102702
1-methyl-9-(1H-1,2,4-triazol-5-ylcarbonyl)-1,4,9-triazaspiro[5.5]undecan-5-one
CID 56747886
1H-1,2,4-triazol-3-yl 4-methylpiperidyl ketone
CID 4187782
piperidin-1-yl(1H-1,2,4-triazol-5-yl)methanone
CID 15294887
(4-Amino-1-piperidinyl)-1h-1,2,4-triazol-5-ylmethanone
CID 63653476
9-azabicyclo[3.3.1]nonan-9-yl(1H-1,2,4-triazol-5-yl)methanone
CID 68272921

Frequently Asked Questions

What is the IUPAC name of 4-piperidin-1-yl-1-[4-(1H-1,2,4-triazole-5-carbonyl)piperazin-1-yl]butan-1-one?
The IUPAC name of 4-piperidin-1-yl-1-[4-(1H-1,2,4-triazole-5-carbonyl)piperazin-1-yl]butan-1-one (CID 72873031) is 4-piperidin-1-yl-1-[4-(1H-1,2,4-triazole-5-carbonyl)piperazin-1-yl]butan-1-one.
What is the SMILES notation for 4-piperidin-1-yl-1-[4-(1H-1,2,4-triazole-5-carbonyl)piperazin-1-yl]butan-1-one?
The canonical SMILES for 4-piperidin-1-yl-1-[4-(1H-1,2,4-triazole-5-carbonyl)piperazin-1-yl]butan-1-one is O=C(CCCN1CCCCC1)N1CCN(C(=O)c2ncn[nH]2)CC1.
What is the InChIKey of 4-piperidin-1-yl-1-[4-(1H-1,2,4-triazole-5-carbonyl)piperazin-1-yl]butan-1-one?
The InChIKey is JLLJVFFRHMARNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N6O2/c23-14(5-4-8-20-6-2-1-3-7-20)21-9-11-22(12-10-21)16(24)15-17-13-18-19-15/h13H,1-12H2,(H,17,18,19).
What are the key properties of 4-piperidin-1-yl-1-[4-(1H-1,2,4-triazole-5-carbonyl)piperazin-1-yl]butan-1-one?
4-piperidin-1-yl-1-[4-(1H-1,2,4-triazole-5-carbonyl)piperazin-1-yl]butan-1-one has a molecular weight of 334.42 g/mol, XLogP of 0.36, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-piperidin-1-yl-1-[4-(1H-1,2,4-triazole-5-carbonyl)piperazin-1-yl]butan-1-one is sourced from PubChem (CID 72873031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).