[4-methyl-6-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]-phenylmethanone

C20H25N3O — CID 102545672

IUPAC[4-methyl-6-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]-phenylmethanone
SMILESCc1cc(N2CCN(C(C)C)CC2)ncc1C(=O)c1ccccc1
InChIInChI=1S/C20H25N3O/c1-15(2)22-9-11-23(12-10-22)19-13-16(3)18(14-21-19)20(24)17-7-5-4-6-8-17/h4-8,13-15H,9-12H2,1-3H3
InChIKeyNCPKTYMLJHYEPB-UHFFFAOYSA-N
MW323.44 g/mol
LogP3.15
Rot. Bonds4

About [4-methyl-6-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]-phenylmethanone

[4-methyl-6-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]-phenylmethanone (PubChem CID 102545672) has the molecular formula C20H25N3O and a molecular weight of 323.44 g/mol. Its IUPAC name is [4-methyl-6-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]-phenylmethanone.

Molecular Properties

Compound Name[4-methyl-6-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]-phenylmethanone
PubChem CID102545672
Molecular FormulaC20H25N3O
Molecular Weight323.44 g/mol
Exact Mass323.20
IUPAC Name[4-methyl-6-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]-phenylmethanone
SMILESCc1cc(N2CCN(C(C)C)CC2)ncc1C(=O)c1ccccc1
InChIInChI=1S/C20H25N3O/c1-15(2)22-9-11-23(12-10-22)19-13-16(3)18(14-21-19)20(24)17-7-5-4-6-8-17/h4-8,13-15H,9-12H2,1-3H3
InChIKeyNCPKTYMLJHYEPB-UHFFFAOYSA-N
XLogP3.15
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(4-methyl-6-pyrrolidin-1-yl-3-pyridinyl)-phenylmethanone
CID 102545495
4-methyl-6-(4-methylpiperazin-1-yl)pyridine-3-carboxylic acid
CID 102545588
1-(5-tert-butylsulfanyl-4-methyl-2-pyridinyl)-4-propan-2-ylpiperazine
CID 102545681
1-[6-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]propan-1-one
CID 102546833
N,N-dimethyl-3-[6-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]benzamide
CID 58006679
6-methyl-4-(4-propan-2-ylpiperazin-1-yl)pyridine-3-carboxylic acid
CID 81232217
N-propan-2-yl-6-(4-propan-2-ylpiperazin-1-yl)pyridine-3-carboxamide
CID 901299
6-(3,4-dihydro-1H-isoquinolin-2-yl)-4-methylpyridine-3-carboxylic acid
CID 102545800
cyclohexane;[2-(4-propan-2-ylpiperazin-1-yl)-4-pyridinyl]carbamic acid
CID 69250731
2-(4-propan-2-ylpiperazin-1-yl)pyridine-3-carboxylic acid
CID 43421741
[4-methyl-6-(N-methylanilino)-3-pyridinyl]-phenylmethanone
CID 102545394
2-benzoyl-5-(4-methylbenzoyl)terephthalic acid
CID 23586512

Frequently Asked Questions

What is the IUPAC name of [4-methyl-6-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]-phenylmethanone?
The IUPAC name of [4-methyl-6-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]-phenylmethanone (CID 102545672) is [4-methyl-6-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]-phenylmethanone.
What is the SMILES notation for [4-methyl-6-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]-phenylmethanone?
The canonical SMILES for [4-methyl-6-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]-phenylmethanone is Cc1cc(N2CCN(C(C)C)CC2)ncc1C(=O)c1ccccc1.
What is the InChIKey of [4-methyl-6-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]-phenylmethanone?
The InChIKey is NCPKTYMLJHYEPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O/c1-15(2)22-9-11-23(12-10-22)19-13-16(3)18(14-21-19)20(24)17-7-5-4-6-8-17/h4-8,13-15H,9-12H2,1-3H3.
What are the key properties of [4-methyl-6-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]-phenylmethanone?
[4-methyl-6-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]-phenylmethanone has a molecular weight of 323.44 g/mol, XLogP of 3.15, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-methyl-6-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]-phenylmethanone is sourced from PubChem (CID 102545672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).