7-amino-1-[4-(2-methylpyrazol-3-yl)piperidin-1-yl]heptan-1-one;dihydrochloride

C16H30Cl2N4O — CID 119873963

IUPAC7-amino-1-[4-(2-methylpyrazol-3-yl)piperidin-1-yl]heptan-1-one;dihydrochloride
SMILESCl.Cl.Cn1nccc1C1CCN(C(=O)CCCCCCN)CC1
InChIInChI=1S/C16H28N4O.2ClH/c1-19-15(7-11-18-19)14-8-12-20(13-9-14)16(21)6-4-2-3-5-10-17;;/h7,11,14H,2-6,8-10,12-13,17H2,1H3;2*1H
InChIKeySLYWELVDGWILEI-UHFFFAOYSA-N
MW365.35 g/mol
LogP2.88
Rot. Bonds7

About 7-amino-1-[4-(2-methylpyrazol-3-yl)piperidin-1-yl]heptan-1-one;dihydrochloride

7-amino-1-[4-(2-methylpyrazol-3-yl)piperidin-1-yl]heptan-1-one;dihydrochloride (PubChem CID 119873963) has the molecular formula C16H30Cl2N4O and a molecular weight of 365.35 g/mol. Its IUPAC name is 7-amino-1-[4-(2-methylpyrazol-3-yl)piperidin-1-yl]heptan-1-one;dihydrochloride.

Molecular Properties

Compound Name7-amino-1-[4-(2-methylpyrazol-3-yl)piperidin-1-yl]heptan-1-one;dihydrochloride
PubChem CID119873963
Molecular FormulaC16H30Cl2N4O
Molecular Weight365.35 g/mol
Exact Mass364.18
IUPAC Name7-amino-1-[4-(2-methylpyrazol-3-yl)piperidin-1-yl]heptan-1-one;dihydrochloride
SMILESCl.Cl.Cn1nccc1C1CCN(C(=O)CCCCCCN)CC1
InChIInChI=1S/C16H28N4O.2ClH/c1-19-15(7-11-18-19)14-8-12-20(13-9-14)16(21)6-4-2-3-5-10-17;;/h7,11,14H,2-6,8-10,12-13,17H2,1H3;2*1H
InChIKeySLYWELVDGWILEI-UHFFFAOYSA-N
XLogP2.88
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.35
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-(2-aminophenyl)-1-[4-(2-methylpyrazol-3-yl)piperidin-1-yl]propan-1-one;dihydrochloride
CID 120612910
3-[4-(2-methylpyrazol-3-yl)piperidin-1-yl]-1-piperazin-1-ylpropan-1-one
CID 120982600
7-amino-1-(4-propan-2-ylpiperidin-1-yl)heptan-1-one;hydrochloride
CID 119806012
(2R)-3-amino-1-[4-(2-methylpyrazol-3-yl)piperidin-1-yl]-2-phenylpropan-1-one
CID 124696045
6-amino-1-(4-pyrazol-1-ylpiperidin-1-yl)hexan-1-one
CID 110482610
2-(3,4-dimethylphenoxy)-1-[4-(2-methylpyrazol-3-yl)piperidin-1-yl]ethanone
CID 136527045
1-[4-(2-methylpyrazol-3-yl)piperidin-1-yl]-2-(2-propan-2-yloxyphenyl)ethanone
CID 146132579
(2-aminophenyl)-[4-(2-methylpyrazol-3-yl)piperidin-1-yl]methanone
CID 119946982
[4-(2-methylpyrazol-3-yl)piperidin-1-yl]-piperidin-2-ylmethanone;dihydrochloride
CID 119873977
(3-aminophenyl)-[4-(2-methylpyrazol-3-yl)piperidin-1-yl]methanone;dihydrochloride
CID 119874001
6-amino-1-[4-(hydroxymethyl)piperidin-1-yl]hexan-1-one
CID 43133252
7-amino-1-[4-(1-methylpyrazol-4-yl)piperazin-1-yl]heptan-1-one
CID 119887294

Frequently Asked Questions

What is the IUPAC name of 7-amino-1-[4-(2-methylpyrazol-3-yl)piperidin-1-yl]heptan-1-one;dihydrochloride?
The IUPAC name of 7-amino-1-[4-(2-methylpyrazol-3-yl)piperidin-1-yl]heptan-1-one;dihydrochloride (CID 119873963) is 7-amino-1-[4-(2-methylpyrazol-3-yl)piperidin-1-yl]heptan-1-one;dihydrochloride.
What is the SMILES notation for 7-amino-1-[4-(2-methylpyrazol-3-yl)piperidin-1-yl]heptan-1-one;dihydrochloride?
The canonical SMILES for 7-amino-1-[4-(2-methylpyrazol-3-yl)piperidin-1-yl]heptan-1-one;dihydrochloride is Cl.Cl.Cn1nccc1C1CCN(C(=O)CCCCCCN)CC1.
What is the InChIKey of 7-amino-1-[4-(2-methylpyrazol-3-yl)piperidin-1-yl]heptan-1-one;dihydrochloride?
The InChIKey is SLYWELVDGWILEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4O.2ClH/c1-19-15(7-11-18-19)14-8-12-20(13-9-14)16(21)6-4-2-3-5-10-17;;/h7,11,14H,2-6,8-10,12-13,17H2,1H3;2*1H.
What are the key properties of 7-amino-1-[4-(2-methylpyrazol-3-yl)piperidin-1-yl]heptan-1-one;dihydrochloride?
7-amino-1-[4-(2-methylpyrazol-3-yl)piperidin-1-yl]heptan-1-one;dihydrochloride has a molecular weight of 365.35 g/mol, XLogP of 2.88, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-1-[4-(2-methylpyrazol-3-yl)piperidin-1-yl]heptan-1-one;dihydrochloride is sourced from PubChem (CID 119873963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).