6-amino-2-methyl-1-[3-(1H-pyrazol-5-yl)piperidin-1-yl]heptan-1-one

C16H28N4O — CID 65292377

IUPAC6-amino-2-methyl-1-[3-(1H-pyrazol-5-yl)piperidin-1-yl]heptan-1-one
SMILESCC(N)CCCC(C)C(=O)N1CCCC(c2ccn[nH]2)C1
InChIInChI=1S/C16H28N4O/c1-12(5-3-6-13(2)17)16(21)20-10-4-7-14(11-20)15-8-9-18-19-15/h8-9,12-14H,3-7,10-11,17H2,1-2H3,(H,18,19)
InChIKeyQJRYFIDGNBWDIX-UHFFFAOYSA-N
MW292.43 g/mol
LogP2.27
Rot. Bonds6

About 6-amino-2-methyl-1-[3-(1H-pyrazol-5-yl)piperidin-1-yl]heptan-1-one

6-amino-2-methyl-1-[3-(1H-pyrazol-5-yl)piperidin-1-yl]heptan-1-one (PubChem CID 65292377) has the molecular formula C16H28N4O and a molecular weight of 292.43 g/mol. Its IUPAC name is 6-amino-2-methyl-1-[3-(1H-pyrazol-5-yl)piperidin-1-yl]heptan-1-one.

Molecular Properties

Compound Name6-amino-2-methyl-1-[3-(1H-pyrazol-5-yl)piperidin-1-yl]heptan-1-one
PubChem CID65292377
Molecular FormulaC16H28N4O
Molecular Weight292.43 g/mol
Exact Mass292.23
IUPAC Name6-amino-2-methyl-1-[3-(1H-pyrazol-5-yl)piperidin-1-yl]heptan-1-one
SMILESCC(N)CCCC(C)C(=O)N1CCCC(c2ccn[nH]2)C1
InChIInChI=1S/C16H28N4O/c1-12(5-3-6-13(2)17)16(21)20-10-4-7-14(11-20)15-8-9-18-19-15/h8-9,12-14H,3-7,10-11,17H2,1-2H3,(H,18,19)
InChIKeyQJRYFIDGNBWDIX-UHFFFAOYSA-N
XLogP2.27
TPSA75.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.43
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-amino-3-methyl-1-[3-(1H-pyrazol-5-yl)piperidin-1-yl]butan-1-one
CID 79012541
2-methyl-3-oxo-3-[3-(1H-pyrazol-5-yl)piperidin-1-yl]propanoic acid
CID 114897652
2-(aminomethyl)-1-[3-(1H-pyrazol-5-yl)piperidin-1-yl]butan-1-one
CID 65227203
2,2-difluoro-1-[3-(1H-pyrazol-5-yl)piperidin-1-yl]ethanone
CID 103514888
1-[3-(1H-pyrazol-5-yl)piperidin-1-yl]ethanone
CID 62867071
3-(propan-2-ylamino)-1-[3-(1H-pyrazol-5-yl)piperidin-1-yl]propan-1-one
CID 54873257
cyclopropyl-[3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone
CID 62866717
2-(1-propan-2-ylpyrazol-3-yl)-1-[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]ethanone
CID 95780445
2-(2-methoxyethylamino)-1-[3-(1H-pyrazol-5-yl)piperidin-1-yl]ethanone
CID 79281663
(1-ethyl-3-propan-2-ylpyrazol-5-yl)-[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone
CID 125019919
[3-(1H-pyrazol-5-yl)piperidin-1-yl]-(2H-triazol-4-yl)methanone
CID 78917987
6-amino-1-[3-(hydroxymethyl)piperidin-1-yl]-2-methylheptan-1-one
CID 65290352

Frequently Asked Questions

What is the IUPAC name of 6-amino-2-methyl-1-[3-(1H-pyrazol-5-yl)piperidin-1-yl]heptan-1-one?
The IUPAC name of 6-amino-2-methyl-1-[3-(1H-pyrazol-5-yl)piperidin-1-yl]heptan-1-one (CID 65292377) is 6-amino-2-methyl-1-[3-(1H-pyrazol-5-yl)piperidin-1-yl]heptan-1-one.
What is the SMILES notation for 6-amino-2-methyl-1-[3-(1H-pyrazol-5-yl)piperidin-1-yl]heptan-1-one?
The canonical SMILES for 6-amino-2-methyl-1-[3-(1H-pyrazol-5-yl)piperidin-1-yl]heptan-1-one is CC(N)CCCC(C)C(=O)N1CCCC(c2ccn[nH]2)C1.
What is the InChIKey of 6-amino-2-methyl-1-[3-(1H-pyrazol-5-yl)piperidin-1-yl]heptan-1-one?
The InChIKey is QJRYFIDGNBWDIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4O/c1-12(5-3-6-13(2)17)16(21)20-10-4-7-14(11-20)15-8-9-18-19-15/h8-9,12-14H,3-7,10-11,17H2,1-2H3,(H,18,19).
What are the key properties of 6-amino-2-methyl-1-[3-(1H-pyrazol-5-yl)piperidin-1-yl]heptan-1-one?
6-amino-2-methyl-1-[3-(1H-pyrazol-5-yl)piperidin-1-yl]heptan-1-one has a molecular weight of 292.43 g/mol, XLogP of 2.27, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-2-methyl-1-[3-(1H-pyrazol-5-yl)piperidin-1-yl]heptan-1-one is sourced from PubChem (CID 65292377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).