3-amino-2,2-dimethyl-1-[3-(3-piperazin-1-yl-1H-pyrazol-5-yl)piperidin-1-yl]propan-1-one

C17H30N6O — CID 138033137

IUPAC3-amino-2,2-dimethyl-1-[3-(3-piperazin-1-yl-1H-pyrazol-5-yl)piperidin-1-yl]propan-1-one
SMILESCC(C)(CN)C(=O)N1CCCC(c2cc(N3CCNCC3)n[nH]2)C1
InChIInChI=1S/C17H30N6O/c1-17(2,12-18)16(24)23-7-3-4-13(11-23)14-10-15(21-20-14)22-8-5-19-6-9-22/h10,13,19H,3-9,11-12,18H2,1-2H3,(H,20,21)
InChIKeyVIVVOGJIQIILFQ-UHFFFAOYSA-N
MW334.47 g/mol
LogP0.51
Rot. Bonds4

About 3-amino-2,2-dimethyl-1-[3-(3-piperazin-1-yl-1H-pyrazol-5-yl)piperidin-1-yl]propan-1-one

3-amino-2,2-dimethyl-1-[3-(3-piperazin-1-yl-1H-pyrazol-5-yl)piperidin-1-yl]propan-1-one (PubChem CID 138033137) has the molecular formula C17H30N6O and a molecular weight of 334.47 g/mol. Its IUPAC name is 3-amino-2,2-dimethyl-1-[3-(3-piperazin-1-yl-1H-pyrazol-5-yl)piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-amino-2,2-dimethyl-1-[3-(3-piperazin-1-yl-1H-pyrazol-5-yl)piperidin-1-yl]propan-1-one
PubChem CID138033137
Molecular FormulaC17H30N6O
Molecular Weight334.47 g/mol
Exact Mass334.25
IUPAC Name3-amino-2,2-dimethyl-1-[3-(3-piperazin-1-yl-1H-pyrazol-5-yl)piperidin-1-yl]propan-1-one
SMILESCC(C)(CN)C(=O)N1CCCC(c2cc(N3CCNCC3)n[nH]2)C1
InChIInChI=1S/C17H30N6O/c1-17(2,12-18)16(24)23-7-3-4-13(11-23)14-10-15(21-20-14)22-8-5-19-6-9-22/h10,13,19H,3-9,11-12,18H2,1-2H3,(H,20,21)
InChIKeyVIVVOGJIQIILFQ-UHFFFAOYSA-N
XLogP0.51
TPSA90.28 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.47
LogP ≤ 50.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 3-amino-2,2-dimethyl-1-[3-(3-piperazin-1-yl-1H-pyrazol-5-yl)piperidin-1-yl]propan-1-one with MolForge

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Related Compounds

1-[3-(3-piperazin-1-yl-1H-pyrazol-5-yl)piperidin-1-yl]ethanone
CID 138033141
2-(methylamino)-1-[3-(3-piperazin-1-yl-1H-pyrazol-5-yl)piperidin-1-yl]ethanone
CID 154741561
2-cyclopropyl-1-[3-(3-piperazin-1-yl-1H-pyrazol-5-yl)piperidin-1-yl]ethanone
CID 138033155
(4-methyl-2,3-dihydro-1H-indol-2-yl)-[3-(3-piperazin-1-yl-1H-pyrazol-5-yl)piperidin-1-yl]methanone
CID 154843994
3-amino-1-(3-aminopiperidin-1-yl)-2,2-dimethylpropan-1-one;hydrochloride
CID 130637170
3-[[3-(3-piperazin-1-yl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]-1,2-oxazole
CID 138057970
4-[[3-(3-carbamoyl-1H-pyrazol-5-yl)piperidine-1-carbonyl]amino]-2,2-dimethylbutanoic acid
CID 122126620
3-amino-1-[3-(hydroxymethyl)pyrrolidin-1-yl]-2,2-dimethylpropan-1-one
CID 112624833
2,2-dimethyl-1-[3-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperidin-1-yl]butan-1-one
CID 70753175
5-[1-(2-amino-2-methylpropyl)piperidin-3-yl]-1H-pyrazole-3-carboxamide;hydrochloride
CID 120849092
(4-pyrazol-1-ylpiperidin-4-yl)-[3-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidin-1-yl]methanone
CID 120936316
3-(3-carbamoyl-1H-pyrazol-5-yl)-N-propan-2-ylpiperidine-1-carboxamide
CID 75378433

Frequently Asked Questions

What is the IUPAC name of 3-amino-2,2-dimethyl-1-[3-(3-piperazin-1-yl-1H-pyrazol-5-yl)piperidin-1-yl]propan-1-one?
The IUPAC name of 3-amino-2,2-dimethyl-1-[3-(3-piperazin-1-yl-1H-pyrazol-5-yl)piperidin-1-yl]propan-1-one (CID 138033137) is 3-amino-2,2-dimethyl-1-[3-(3-piperazin-1-yl-1H-pyrazol-5-yl)piperidin-1-yl]propan-1-one.
What is the SMILES notation for 3-amino-2,2-dimethyl-1-[3-(3-piperazin-1-yl-1H-pyrazol-5-yl)piperidin-1-yl]propan-1-one?
The canonical SMILES for 3-amino-2,2-dimethyl-1-[3-(3-piperazin-1-yl-1H-pyrazol-5-yl)piperidin-1-yl]propan-1-one is CC(C)(CN)C(=O)N1CCCC(c2cc(N3CCNCC3)n[nH]2)C1.
What is the InChIKey of 3-amino-2,2-dimethyl-1-[3-(3-piperazin-1-yl-1H-pyrazol-5-yl)piperidin-1-yl]propan-1-one?
The InChIKey is VIVVOGJIQIILFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N6O/c1-17(2,12-18)16(24)23-7-3-4-13(11-23)14-10-15(21-20-14)22-8-5-19-6-9-22/h10,13,19H,3-9,11-12,18H2,1-2H3,(H,20,21).
What are the key properties of 3-amino-2,2-dimethyl-1-[3-(3-piperazin-1-yl-1H-pyrazol-5-yl)piperidin-1-yl]propan-1-one?
3-amino-2,2-dimethyl-1-[3-(3-piperazin-1-yl-1H-pyrazol-5-yl)piperidin-1-yl]propan-1-one has a molecular weight of 334.47 g/mol, XLogP of 0.51, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2,2-dimethyl-1-[3-(3-piperazin-1-yl-1H-pyrazol-5-yl)piperidin-1-yl]propan-1-one is sourced from PubChem (CID 138033137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).