(4-amino-3,3-dimethylpiperidin-1-yl)-(1,5-dimethylpyrazol-4-yl)methanone

C13H22N4O — CID 114267680

IUPAC(4-amino-3,3-dimethylpiperidin-1-yl)-(1,5-dimethylpyrazol-4-yl)methanone
SMILESCc1c(C(=O)N2CCC(N)C(C)(C)C2)cnn1C
InChIInChI=1S/C13H22N4O/c1-9-10(7-15-16(9)4)12(18)17-6-5-11(14)13(2,3)8-17/h7,11H,5-6,8,14H2,1-4H3
InChIKeyAIMWZCBRHGOPJP-UHFFFAOYSA-N
MW250.35 g/mol
LogP0.93
Rot. Bonds1

About (4-amino-3,3-dimethylpiperidin-1-yl)-(1,5-dimethylpyrazol-4-yl)methanone

(4-amino-3,3-dimethylpiperidin-1-yl)-(1,5-dimethylpyrazol-4-yl)methanone (PubChem CID 114267680) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is (4-amino-3,3-dimethylpiperidin-1-yl)-(1,5-dimethylpyrazol-4-yl)methanone.

Molecular Properties

Compound Name(4-amino-3,3-dimethylpiperidin-1-yl)-(1,5-dimethylpyrazol-4-yl)methanone
PubChem CID114267680
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC Name(4-amino-3,3-dimethylpiperidin-1-yl)-(1,5-dimethylpyrazol-4-yl)methanone
SMILESCc1c(C(=O)N2CCC(N)C(C)(C)C2)cnn1C
InChIInChI=1S/C13H22N4O/c1-9-10(7-15-16(9)4)12(18)17-6-5-11(14)13(2,3)8-17/h7,11H,5-6,8,14H2,1-4H3
InChIKeyAIMWZCBRHGOPJP-UHFFFAOYSA-N
XLogP0.93
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4-amino-3,3-dimethylpiperidin-1-yl)-(5-methyl-1-phenylpyrazol-4-yl)methanone
CID 120816830
(4-amino-3,3-dimethylpiperidin-1-yl)-[1-(4-bromophenyl)-5-methylpyrazol-4-yl]methanone
CID 120817759
(4-amino-3,3-dimethylpiperidin-1-yl)-(1,6-dimethylpyrazolo[3,4-b]pyridin-4-yl)methanone;dihydrochloride
CID 120815468
(4-chloropiperidin-1-yl)-(1,5-dimethylpyrazol-4-yl)methanone
CID 63390631
(4-amino-3,3-dimethylpiperidin-1-yl)-(4-methyl-1H-pyrrol-3-yl)methanone
CID 120816624
(4-amino-3,3-dimethylpiperidin-1-yl)-(4-methyl-1H-pyrrol-3-yl)methanone;hydrochloride
CID 120816623
(4-amino-3,3-dimethylpiperidin-1-yl)-(4-methyl-3-pyridinyl)methanone
CID 120819643
(4-amino-3,3-dimethylpiperidin-1-yl)-(5-methylpyrazolo[1,5-a]pyrimidin-3-yl)methanone
CID 120816495
(4-amino-3,3-dimethylpiperidin-1-yl)-(1-methylpyrazol-4-yl)methanone;hydrochloride
CID 120816214
(4-amino-3,3-dimethylpiperidin-1-yl)-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)methanone
CID 120819381
(4-amino-3,3-dimethylpiperidin-1-yl)-(2,5-dimethylfuran-3-yl)methanone
CID 120815344
(1,5-dimethylpyrazol-4-yl)-[4-(ethylamino)piperidin-1-yl]methanone
CID 60818934

Frequently Asked Questions

What is the IUPAC name of (4-amino-3,3-dimethylpiperidin-1-yl)-(1,5-dimethylpyrazol-4-yl)methanone?
The IUPAC name of (4-amino-3,3-dimethylpiperidin-1-yl)-(1,5-dimethylpyrazol-4-yl)methanone (CID 114267680) is (4-amino-3,3-dimethylpiperidin-1-yl)-(1,5-dimethylpyrazol-4-yl)methanone.
What is the SMILES notation for (4-amino-3,3-dimethylpiperidin-1-yl)-(1,5-dimethylpyrazol-4-yl)methanone?
The canonical SMILES for (4-amino-3,3-dimethylpiperidin-1-yl)-(1,5-dimethylpyrazol-4-yl)methanone is Cc1c(C(=O)N2CCC(N)C(C)(C)C2)cnn1C.
What is the InChIKey of (4-amino-3,3-dimethylpiperidin-1-yl)-(1,5-dimethylpyrazol-4-yl)methanone?
The InChIKey is AIMWZCBRHGOPJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O/c1-9-10(7-15-16(9)4)12(18)17-6-5-11(14)13(2,3)8-17/h7,11H,5-6,8,14H2,1-4H3.
What are the key properties of (4-amino-3,3-dimethylpiperidin-1-yl)-(1,5-dimethylpyrazol-4-yl)methanone?
(4-amino-3,3-dimethylpiperidin-1-yl)-(1,5-dimethylpyrazol-4-yl)methanone has a molecular weight of 250.35 g/mol, XLogP of 0.93, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-3,3-dimethylpiperidin-1-yl)-(1,5-dimethylpyrazol-4-yl)methanone is sourced from PubChem (CID 114267680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).