[5-(2-methylpropyl)-2-propan-2-ylpiperazin-1-yl]-pyridin-2-ylmethanone

C17H27N3O — CID 82250586

IUPAC[5-(2-methylpropyl)-2-propan-2-ylpiperazin-1-yl]-pyridin-2-ylmethanone
SMILESCC(C)CC1CN(C(=O)c2ccccn2)C(C(C)C)CN1
InChIInChI=1S/C17H27N3O/c1-12(2)9-14-11-20(16(10-19-14)13(3)4)17(21)15-7-5-6-8-18-15/h5-8,12-14,16,19H,9-11H2,1-4H3
InChIKeyCQVDYELZZKAZQH-UHFFFAOYSA-N
MW289.42 g/mol
LogP2.57
Rot. Bonds4

About [5-(2-methylpropyl)-2-propan-2-ylpiperazin-1-yl]-pyridin-2-ylmethanone

[5-(2-methylpropyl)-2-propan-2-ylpiperazin-1-yl]-pyridin-2-ylmethanone (PubChem CID 82250586) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is [5-(2-methylpropyl)-2-propan-2-ylpiperazin-1-yl]-pyridin-2-ylmethanone.

Molecular Properties

Compound Name[5-(2-methylpropyl)-2-propan-2-ylpiperazin-1-yl]-pyridin-2-ylmethanone
PubChem CID82250586
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC Name[5-(2-methylpropyl)-2-propan-2-ylpiperazin-1-yl]-pyridin-2-ylmethanone
SMILESCC(C)CC1CN(C(=O)c2ccccn2)C(C(C)C)CN1
InChIInChI=1S/C17H27N3O/c1-12(2)9-14-11-20(16(10-19-14)13(3)4)17(21)15-7-5-6-8-18-15/h5-8,12-14,16,19H,9-11H2,1-4H3
InChIKeyCQVDYELZZKAZQH-UHFFFAOYSA-N
XLogP2.57
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2,5-diethylpiperazin-1-yl)-pyridin-2-ylmethanone
CID 64978517
pyridin-2-yl-(2,5,5-trimethylpiperazin-1-yl)methanone
CID 82243120
(3,5-dimethylpiperazin-1-yl)-pyridin-2-ylmethanone;dihydrochloride
CID 119564691
1-[(2-methylphenyl)methyl]-5-(2-methylpropyl)-2-propan-2-ylpiperazine
CID 64849507
methyl (2S,3S)-3-methyl-1-(pyridine-2-carbonyl)azetidine-2-carboxylate
CID 122462282
(2,6-dimethylpiperazin-1-yl)-pyridin-2-ylmethanone
CID 63911767
[3-(fluoromethyl)azetidin-1-yl]-pyridin-2-ylmethanone
CID 121184939
[4-(2-methylpropylsulfonyl)piperidin-1-yl]-pyridin-2-ylmethanone
CID 90589965
1-(3-bromo-2-methylphenyl)-5-(2-methylpropyl)-2-propan-2-ylpiperazine
CID 107639844
[(3aS,8aS)-2-(3-methylbutyl)-1,1-dioxo-3a,4,5,7,8,8a-hexahydro-3H-[1,2]thiazolo[4,5-d]azepin-6-yl]-pyridin-2-ylmethanone
CID 124825122
4-(pyridine-2-carbonyl)piperazine-2,6-dione
CID 66085705
[2-(methylaminomethyl)pyrrolidin-1-yl]-pyridin-2-ylmethanone;dihydrochloride
CID 119651815

Frequently Asked Questions

What is the IUPAC name of [5-(2-methylpropyl)-2-propan-2-ylpiperazin-1-yl]-pyridin-2-ylmethanone?
The IUPAC name of [5-(2-methylpropyl)-2-propan-2-ylpiperazin-1-yl]-pyridin-2-ylmethanone (CID 82250586) is [5-(2-methylpropyl)-2-propan-2-ylpiperazin-1-yl]-pyridin-2-ylmethanone.
What is the SMILES notation for [5-(2-methylpropyl)-2-propan-2-ylpiperazin-1-yl]-pyridin-2-ylmethanone?
The canonical SMILES for [5-(2-methylpropyl)-2-propan-2-ylpiperazin-1-yl]-pyridin-2-ylmethanone is CC(C)CC1CN(C(=O)c2ccccn2)C(C(C)C)CN1.
What is the InChIKey of [5-(2-methylpropyl)-2-propan-2-ylpiperazin-1-yl]-pyridin-2-ylmethanone?
The InChIKey is CQVDYELZZKAZQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O/c1-12(2)9-14-11-20(16(10-19-14)13(3)4)17(21)15-7-5-6-8-18-15/h5-8,12-14,16,19H,9-11H2,1-4H3.
What are the key properties of [5-(2-methylpropyl)-2-propan-2-ylpiperazin-1-yl]-pyridin-2-ylmethanone?
[5-(2-methylpropyl)-2-propan-2-ylpiperazin-1-yl]-pyridin-2-ylmethanone has a molecular weight of 289.42 g/mol, XLogP of 2.57, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2-methylpropyl)-2-propan-2-ylpiperazin-1-yl]-pyridin-2-ylmethanone is sourced from PubChem (CID 82250586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).