1-[3-[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]-3-oxopropyl]pyridin-2-one

C19H24N4O2 — CID 70750647

IUPAC1-[3-[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]-3-oxopropyl]pyridin-2-one
SMILESCc1cccnc1CN1CCN(C(=O)CCn2ccccc2=O)CC1
InChIInChI=1S/C19H24N4O2/c1-16-5-4-8-20-17(16)15-21-11-13-23(14-12-21)19(25)7-10-22-9-3-2-6-18(22)24/h2-6,8-9H,7,10-15H2,1H3
InChIKeyRGYNUZXCZUKNJW-UHFFFAOYSA-N
MW340.43 g/mol
LogP1.29
Rot. Bonds5

About 1-[3-[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]-3-oxopropyl]pyridin-2-one

1-[3-[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]-3-oxopropyl]pyridin-2-one (PubChem CID 70750647) has the molecular formula C19H24N4O2 and a molecular weight of 340.43 g/mol. Its IUPAC name is 1-[3-[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]-3-oxopropyl]pyridin-2-one.

Molecular Properties

Compound Name1-[3-[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]-3-oxopropyl]pyridin-2-one
PubChem CID70750647
Molecular FormulaC19H24N4O2
Molecular Weight340.43 g/mol
Exact Mass340.19
IUPAC Name1-[3-[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]-3-oxopropyl]pyridin-2-one
SMILESCc1cccnc1CN1CCN(C(=O)CCn2ccccc2=O)CC1
InChIInChI=1S/C19H24N4O2/c1-16-5-4-8-20-17(16)15-21-11-13-23(14-12-21)19(25)7-10-22-9-3-2-6-18(22)24/h2-6,8-9H,7,10-15H2,1H3
InChIKeyRGYNUZXCZUKNJW-UHFFFAOYSA-N
XLogP1.29
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 51.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]-3-oxopropyl]pyridin-2-one?
The IUPAC name of 1-[3-[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]-3-oxopropyl]pyridin-2-one (CID 70750647) is 1-[3-[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]-3-oxopropyl]pyridin-2-one.
What is the SMILES notation for 1-[3-[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]-3-oxopropyl]pyridin-2-one?
The canonical SMILES for 1-[3-[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]-3-oxopropyl]pyridin-2-one is Cc1cccnc1CN1CCN(C(=O)CCn2ccccc2=O)CC1.
What is the InChIKey of 1-[3-[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]-3-oxopropyl]pyridin-2-one?
The InChIKey is RGYNUZXCZUKNJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O2/c1-16-5-4-8-20-17(16)15-21-11-13-23(14-12-21)19(25)7-10-22-9-3-2-6-18(22)24/h2-6,8-9H,7,10-15H2,1H3.
What are the key properties of 1-[3-[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]-3-oxopropyl]pyridin-2-one?
1-[3-[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]-3-oxopropyl]pyridin-2-one has a molecular weight of 340.43 g/mol, XLogP of 1.29, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]-3-oxopropyl]pyridin-2-one is sourced from PubChem (CID 70750647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).