[4-(1-amino-2-methylpropan-2-yl)piperazin-1-yl]-(3-methyl-2-pyridinyl)methanone

C15H24N4O — CID 63341090

IUPAC[4-(1-amino-2-methylpropan-2-yl)piperazin-1-yl]-(3-methyl-2-pyridinyl)methanone
SMILESCc1cccnc1C(=O)N1CCN(C(C)(C)CN)CC1
InChIInChI=1S/C15H24N4O/c1-12-5-4-6-17-13(12)14(20)18-7-9-19(10-8-18)15(2,3)11-16/h4-6H,7-11,16H2,1-3H3
InChIKeyNTBUMEIXBFHIMS-UHFFFAOYSA-N
MW276.38 g/mol
LogP0.89
Rot. Bonds3

About [4-(1-amino-2-methylpropan-2-yl)piperazin-1-yl]-(3-methyl-2-pyridinyl)methanone

[4-(1-amino-2-methylpropan-2-yl)piperazin-1-yl]-(3-methyl-2-pyridinyl)methanone (PubChem CID 63341090) has the molecular formula C15H24N4O and a molecular weight of 276.38 g/mol. Its IUPAC name is [4-(1-amino-2-methylpropan-2-yl)piperazin-1-yl]-(3-methyl-2-pyridinyl)methanone.

Molecular Properties

Compound Name[4-(1-amino-2-methylpropan-2-yl)piperazin-1-yl]-(3-methyl-2-pyridinyl)methanone
PubChem CID63341090
Molecular FormulaC15H24N4O
Molecular Weight276.38 g/mol
Exact Mass276.20
IUPAC Name[4-(1-amino-2-methylpropan-2-yl)piperazin-1-yl]-(3-methyl-2-pyridinyl)methanone
SMILESCc1cccnc1C(=O)N1CCN(C(C)(C)CN)CC1
InChIInChI=1S/C15H24N4O/c1-12-5-4-6-17-13(12)14(20)18-7-9-19(10-8-18)15(2,3)11-16/h4-6H,7-11,16H2,1-3H3
InChIKeyNTBUMEIXBFHIMS-UHFFFAOYSA-N
XLogP0.89
TPSA62.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(1-amino-2-methylpropan-2-yl)piperazin-1-yl]-(2-fluoro-3-methylphenyl)methanone
CID 81479699
[4-(1-amino-2-methylpropan-2-yl)piperazin-1-yl]-phenylmethanone
CID 63341086
2-[4-(3-methylpyridine-2-carbonyl)piperazin-1-yl]butanenitrile
CID 63337428
(3-hydroxyazetidin-1-yl)-(3-methyl-2-pyridinyl)methanone
CID 63106422
[4-(1-amino-2-methylpropan-2-yl)piperazin-1-yl]-(4-ethylphenyl)methanone
CID 63340870
(3-aminopyrrolidin-1-yl)-(3-methyl-2-pyridinyl)methanone;dihydrochloride
CID 119482706
[4-(1-amino-2-methylpropan-2-yl)piperazin-1-yl]-(4-methoxyphenyl)methanone
CID 63341043
[(3R)-3-hydroxypyrrolidin-1-yl]-(3-methyl-2-pyridinyl)methanone
CID 66291772
[4-(1-amino-2-methylpropan-2-yl)piperazin-1-yl]-(2-methoxyphenyl)methanone
CID 63340998
[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidin-1-yl]-(3-methyl-2-pyridinyl)methanone;dihydrochloride
CID 120743401
(3-methyl-2-pyridinyl)-[4-[4-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]methanone
CID 44611961
[4-(1-amino-2-methylpropan-2-yl)piperazin-1-yl]-(2,4-dihydroxyphenyl)methanone
CID 107721319

Frequently Asked Questions

What is the IUPAC name of [4-(1-amino-2-methylpropan-2-yl)piperazin-1-yl]-(3-methyl-2-pyridinyl)methanone?
The IUPAC name of [4-(1-amino-2-methylpropan-2-yl)piperazin-1-yl]-(3-methyl-2-pyridinyl)methanone (CID 63341090) is [4-(1-amino-2-methylpropan-2-yl)piperazin-1-yl]-(3-methyl-2-pyridinyl)methanone.
What is the SMILES notation for [4-(1-amino-2-methylpropan-2-yl)piperazin-1-yl]-(3-methyl-2-pyridinyl)methanone?
The canonical SMILES for [4-(1-amino-2-methylpropan-2-yl)piperazin-1-yl]-(3-methyl-2-pyridinyl)methanone is Cc1cccnc1C(=O)N1CCN(C(C)(C)CN)CC1.
What is the InChIKey of [4-(1-amino-2-methylpropan-2-yl)piperazin-1-yl]-(3-methyl-2-pyridinyl)methanone?
The InChIKey is NTBUMEIXBFHIMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O/c1-12-5-4-6-17-13(12)14(20)18-7-9-19(10-8-18)15(2,3)11-16/h4-6H,7-11,16H2,1-3H3.
What are the key properties of [4-(1-amino-2-methylpropan-2-yl)piperazin-1-yl]-(3-methyl-2-pyridinyl)methanone?
[4-(1-amino-2-methylpropan-2-yl)piperazin-1-yl]-(3-methyl-2-pyridinyl)methanone has a molecular weight of 276.38 g/mol, XLogP of 0.89, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1-amino-2-methylpropan-2-yl)piperazin-1-yl]-(3-methyl-2-pyridinyl)methanone is sourced from PubChem (CID 63341090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).