3-[4-(4-methyl-3-pyridinyl)piperazine-1-carbonyl]-6-propan-2-yl-1H-pyridin-2-one

C19H24N4O2 — CID 136565114

IUPAC3-[4-(4-methyl-3-pyridinyl)piperazine-1-carbonyl]-6-propan-2-yl-1H-pyridin-2-one
SMILESCc1ccncc1N1CCN(C(=O)c2ccc(C(C)C)[nH]c2=O)CC1
InChIInChI=1S/C19H24N4O2/c1-13(2)16-5-4-15(18(24)21-16)19(25)23-10-8-22(9-11-23)17-12-20-7-6-14(17)3/h4-7,12-13H,8-11H2,1-3H3,(H,21,24)
InChIKeyPDQTXGXXSAEZSO-UHFFFAOYSA-N
MW340.43 g/mol
LogP2.16
Rot. Bonds3

About 3-[4-(4-methyl-3-pyridinyl)piperazine-1-carbonyl]-6-propan-2-yl-1H-pyridin-2-one

3-[4-(4-methyl-3-pyridinyl)piperazine-1-carbonyl]-6-propan-2-yl-1H-pyridin-2-one (PubChem CID 136565114) has the molecular formula C19H24N4O2 and a molecular weight of 340.43 g/mol. Its IUPAC name is 3-[4-(4-methyl-3-pyridinyl)piperazine-1-carbonyl]-6-propan-2-yl-1H-pyridin-2-one.

Molecular Properties

Compound Name3-[4-(4-methyl-3-pyridinyl)piperazine-1-carbonyl]-6-propan-2-yl-1H-pyridin-2-one
PubChem CID136565114
Molecular FormulaC19H24N4O2
Molecular Weight340.43 g/mol
Exact Mass340.19
IUPAC Name3-[4-(4-methyl-3-pyridinyl)piperazine-1-carbonyl]-6-propan-2-yl-1H-pyridin-2-one
SMILESCc1ccncc1N1CCN(C(=O)c2ccc(C(C)C)[nH]c2=O)CC1
InChIInChI=1S/C19H24N4O2/c1-13(2)16-5-4-15(18(24)21-16)19(25)23-10-8-22(9-11-23)17-12-20-7-6-14(17)3/h4-7,12-13H,8-11H2,1-3H3,(H,21,24)
InChIKeyPDQTXGXXSAEZSO-UHFFFAOYSA-N
XLogP2.16
TPSA69.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(4-methyl-3-pyridinyl)piperazine-1-carbonyl]-6-propan-2-yl-1H-pyridin-2-one?
The IUPAC name of 3-[4-(4-methyl-3-pyridinyl)piperazine-1-carbonyl]-6-propan-2-yl-1H-pyridin-2-one (CID 136565114) is 3-[4-(4-methyl-3-pyridinyl)piperazine-1-carbonyl]-6-propan-2-yl-1H-pyridin-2-one.
What is the SMILES notation for 3-[4-(4-methyl-3-pyridinyl)piperazine-1-carbonyl]-6-propan-2-yl-1H-pyridin-2-one?
The canonical SMILES for 3-[4-(4-methyl-3-pyridinyl)piperazine-1-carbonyl]-6-propan-2-yl-1H-pyridin-2-one is Cc1ccncc1N1CCN(C(=O)c2ccc(C(C)C)[nH]c2=O)CC1.
What is the InChIKey of 3-[4-(4-methyl-3-pyridinyl)piperazine-1-carbonyl]-6-propan-2-yl-1H-pyridin-2-one?
The InChIKey is PDQTXGXXSAEZSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O2/c1-13(2)16-5-4-15(18(24)21-16)19(25)23-10-8-22(9-11-23)17-12-20-7-6-14(17)3/h4-7,12-13H,8-11H2,1-3H3,(H,21,24).
What are the key properties of 3-[4-(4-methyl-3-pyridinyl)piperazine-1-carbonyl]-6-propan-2-yl-1H-pyridin-2-one?
3-[4-(4-methyl-3-pyridinyl)piperazine-1-carbonyl]-6-propan-2-yl-1H-pyridin-2-one has a molecular weight of 340.43 g/mol, XLogP of 2.16, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(4-methyl-3-pyridinyl)piperazine-1-carbonyl]-6-propan-2-yl-1H-pyridin-2-one is sourced from PubChem (CID 136565114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).