(2-tert-butyl-4-pyridinyl)-(4-methylpiperazin-1-yl)methanone

C15H23N3O — CID 4731355

IUPAC(2-tert-butyl-4-pyridinyl)-(4-methylpiperazin-1-yl)methanone
SMILESCN1CCN(C(=O)c2ccnc(C(C)(C)C)c2)CC1
InChIInChI=1S/C15H23N3O/c1-15(2,3)13-11-12(5-6-16-13)14(19)18-9-7-17(4)8-10-18/h5-6,11H,7-10H2,1-4H3
InChIKeyFDQPFEZMCJIVBA-UHFFFAOYSA-N
MW261.37 g/mol
LogP1.77
Rot. Bonds1

About (2-tert-butyl-4-pyridinyl)-(4-methylpiperazin-1-yl)methanone

(2-tert-butyl-4-pyridinyl)-(4-methylpiperazin-1-yl)methanone (PubChem CID 4731355) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is (2-tert-butyl-4-pyridinyl)-(4-methylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(2-tert-butyl-4-pyridinyl)-(4-methylpiperazin-1-yl)methanone
PubChem CID4731355
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC Name(2-tert-butyl-4-pyridinyl)-(4-methylpiperazin-1-yl)methanone
SMILESCN1CCN(C(=O)c2ccnc(C(C)(C)C)c2)CC1
InChIInChI=1S/C15H23N3O/c1-15(2,3)13-11-12(5-6-16-13)14(19)18-9-7-17(4)8-10-18/h5-6,11H,7-10H2,1-4H3
InChIKeyFDQPFEZMCJIVBA-UHFFFAOYSA-N
XLogP1.77
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

azepan-1-yl-(2-tert-butyl-4-pyridinyl)methanone
CID 4731353
(2-tert-butyl-4-pyridinyl)-(4,4-difluoropiperidin-1-yl)methanone
CID 155245200
(2-methoxy-4-pyridinyl)-(4-methylpiperazin-1-yl)methanone
CID 110849835
(4-methylpiperazin-1-yl)-pyridazin-4-ylmethanone
CID 112702155
1-[(2R)-4-(2-tert-butylpyridine-4-carbonyl)-2-methylpiperazin-1-yl]prop-2-en-1-one
CID 172889355
(4-methylpiperazin-1-yl)-pyridin-4-ylmethanone;hydrochloride
CID 110755354
[2-(4-ethylpiperazine-1-carbonyl)-4-pyridinyl]-(4-methylpiperazin-1-yl)methanone
CID 109084137
(7-methyl-2,7-diazaspiro[3.5]nonan-2-yl)-[2-(trifluoromethyl)-4-pyridinyl]methanone
CID 121451640
N-[[4-(4-methylpiperazine-1-carbonyl)-2-pyridinyl]methyl]acetamide
CID 112530383
4-(4-methylpiperazine-1-carbonyl)benzoic acid;hydrochloride
CID 142705499
(4-tert-butylpiperazin-1-yl)-(2-chloro-4-pyridinyl)methanone
CID 61073425
(2-methyl-1,3-dihydroisoindol-5-yl)-(4-methylpiperazin-1-yl)methanone
CID 59274108

Frequently Asked Questions

What is the IUPAC name of (2-tert-butyl-4-pyridinyl)-(4-methylpiperazin-1-yl)methanone?
The IUPAC name of (2-tert-butyl-4-pyridinyl)-(4-methylpiperazin-1-yl)methanone (CID 4731355) is (2-tert-butyl-4-pyridinyl)-(4-methylpiperazin-1-yl)methanone.
What is the SMILES notation for (2-tert-butyl-4-pyridinyl)-(4-methylpiperazin-1-yl)methanone?
The canonical SMILES for (2-tert-butyl-4-pyridinyl)-(4-methylpiperazin-1-yl)methanone is CN1CCN(C(=O)c2ccnc(C(C)(C)C)c2)CC1.
What is the InChIKey of (2-tert-butyl-4-pyridinyl)-(4-methylpiperazin-1-yl)methanone?
The InChIKey is FDQPFEZMCJIVBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c1-15(2,3)13-11-12(5-6-16-13)14(19)18-9-7-17(4)8-10-18/h5-6,11H,7-10H2,1-4H3.
What are the key properties of (2-tert-butyl-4-pyridinyl)-(4-methylpiperazin-1-yl)methanone?
(2-tert-butyl-4-pyridinyl)-(4-methylpiperazin-1-yl)methanone has a molecular weight of 261.37 g/mol, XLogP of 1.77, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-tert-butyl-4-pyridinyl)-(4-methylpiperazin-1-yl)methanone is sourced from PubChem (CID 4731355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).