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

C14H26Cl2N4O — CID 120503635

IUPAC3-amino-2-methyl-1-[4-(2-methylpyrazol-3-yl)piperidin-1-yl]butan-1-one;dihydrochloride
SMILESCC(N)C(C)C(=O)N1CCC(c2ccnn2C)CC1.Cl.Cl
InChIInChI=1S/C14H24N4O.2ClH/c1-10(11(2)15)14(19)18-8-5-12(6-9-18)13-4-7-16-17(13)3;;/h4,7,10-12H,5-6,8-9,15H2,1-3H3;2*1H
InChIKeyAMWCRIFDEZQEQB-UHFFFAOYSA-N
MW337.30 g/mol
LogP1.95
Rot. Bonds3

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

3-amino-2-methyl-1-[4-(2-methylpyrazol-3-yl)piperidin-1-yl]butan-1-one;dihydrochloride (PubChem CID 120503635) has the molecular formula C14H26Cl2N4O and a molecular weight of 337.30 g/mol. Its IUPAC name is 3-amino-2-methyl-1-[4-(2-methylpyrazol-3-yl)piperidin-1-yl]butan-1-one;dihydrochloride.

Molecular Properties

Compound Name3-amino-2-methyl-1-[4-(2-methylpyrazol-3-yl)piperidin-1-yl]butan-1-one;dihydrochloride
PubChem CID120503635
Molecular FormulaC14H26Cl2N4O
Molecular Weight337.30 g/mol
Exact Mass336.15
IUPAC Name3-amino-2-methyl-1-[4-(2-methylpyrazol-3-yl)piperidin-1-yl]butan-1-one;dihydrochloride
SMILESCC(N)C(C)C(=O)N1CCC(c2ccnn2C)CC1.Cl.Cl
InChIInChI=1S/C14H24N4O.2ClH/c1-10(11(2)15)14(19)18-8-5-12(6-9-18)13-4-7-16-17(13)3;;/h4,7,10-12H,5-6,8-9,15H2,1-3H3;2*1H
InChIKeyAMWCRIFDEZQEQB-UHFFFAOYSA-N
XLogP1.95
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.30
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-3-amino-1-[4-(2-methylpyrazol-3-yl)piperidin-1-yl]-2-phenylpropan-1-one
CID 124696045
7-amino-1-[4-(2-methylpyrazol-3-yl)piperidin-1-yl]heptan-1-one;dihydrochloride
CID 119873963
(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
[4-(2-methylpyrazol-3-yl)piperidin-1-yl]-[(2R)-pyrrolidin-2-yl]methanone
CID 124696076
3-amino-2-methyl-1-[4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]butan-1-one;dihydrochloride
CID 120503538
1-[4-(2-methylpyrazol-3-yl)piperidin-1-yl]-2-(2-propan-2-yloxyphenyl)ethanone
CID 146132579
3-(2-aminophenyl)-1-[4-(2-methylpyrazol-3-yl)piperidin-1-yl]propan-1-one;dihydrochloride
CID 120612910
N-[(1R)-1-(2,3-difluorophenyl)ethyl]-4-(2-methylpyrazol-3-yl)piperidine-1-carboxamide
CID 124603478
3-amino-1-[4-(5-chloro-1,3-benzoxazol-2-yl)piperidin-1-yl]-2-methylbutan-1-one
CID 120503150
(3-methylpiperidin-3-yl)-[4-(2-methylpyrazol-3-yl)piperidin-1-yl]methanone
CID 128544432

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-methyl-1-[4-(2-methylpyrazol-3-yl)piperidin-1-yl]butan-1-one;dihydrochloride?
The IUPAC name of 3-amino-2-methyl-1-[4-(2-methylpyrazol-3-yl)piperidin-1-yl]butan-1-one;dihydrochloride (CID 120503635) is 3-amino-2-methyl-1-[4-(2-methylpyrazol-3-yl)piperidin-1-yl]butan-1-one;dihydrochloride.
What is the SMILES notation for 3-amino-2-methyl-1-[4-(2-methylpyrazol-3-yl)piperidin-1-yl]butan-1-one;dihydrochloride?
The canonical SMILES for 3-amino-2-methyl-1-[4-(2-methylpyrazol-3-yl)piperidin-1-yl]butan-1-one;dihydrochloride is CC(N)C(C)C(=O)N1CCC(c2ccnn2C)CC1.Cl.Cl.
What is the InChIKey of 3-amino-2-methyl-1-[4-(2-methylpyrazol-3-yl)piperidin-1-yl]butan-1-one;dihydrochloride?
The InChIKey is AMWCRIFDEZQEQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O.2ClH/c1-10(11(2)15)14(19)18-8-5-12(6-9-18)13-4-7-16-17(13)3;;/h4,7,10-12H,5-6,8-9,15H2,1-3H3;2*1H.
What are the key properties of 3-amino-2-methyl-1-[4-(2-methylpyrazol-3-yl)piperidin-1-yl]butan-1-one;dihydrochloride?
3-amino-2-methyl-1-[4-(2-methylpyrazol-3-yl)piperidin-1-yl]butan-1-one;dihydrochloride has a molecular weight of 337.30 g/mol, XLogP of 1.95, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-methyl-1-[4-(2-methylpyrazol-3-yl)piperidin-1-yl]butan-1-one;dihydrochloride is sourced from PubChem (CID 120503635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).