1-[3-[4-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]-3-oxopropyl]pyridin-2-one

C17H22N4O2 — CID 139000061

IUPAC1-[3-[4-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]-3-oxopropyl]pyridin-2-one
SMILESCc1cc(C2CCN(C(=O)CCn3ccccc3=O)CC2)n[nH]1
InChIInChI=1S/C17H22N4O2/c1-13-12-15(19-18-13)14-5-9-21(10-6-14)17(23)7-11-20-8-3-2-4-16(20)22/h2-4,8,12,14H,5-7,9-11H2,1H3,(H,18,19)
InChIKeyQVECLFUQJLQQKF-UHFFFAOYSA-N
MW314.39 g/mol
LogP1.68
Rot. Bonds4

About 1-[3-[4-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]-3-oxopropyl]pyridin-2-one

1-[3-[4-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]-3-oxopropyl]pyridin-2-one (PubChem CID 139000061) has the molecular formula C17H22N4O2 and a molecular weight of 314.39 g/mol. Its IUPAC name is 1-[3-[4-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]-3-oxopropyl]pyridin-2-one.

Molecular Properties

Compound Name1-[3-[4-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]-3-oxopropyl]pyridin-2-one
PubChem CID139000061
Molecular FormulaC17H22N4O2
Molecular Weight314.39 g/mol
Exact Mass314.17
IUPAC Name1-[3-[4-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]-3-oxopropyl]pyridin-2-one
SMILESCc1cc(C2CCN(C(=O)CCn3ccccc3=O)CC2)n[nH]1
InChIInChI=1S/C17H22N4O2/c1-13-12-15(19-18-13)14-5-9-21(10-6-14)17(23)7-11-20-8-3-2-4-16(20)22/h2-4,8,12,14H,5-7,9-11H2,1H3,(H,18,19)
InChIKeyQVECLFUQJLQQKF-UHFFFAOYSA-N
XLogP1.68
TPSA70.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[4-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]-3-oxopropyl]pyridin-2-one?
The IUPAC name of 1-[3-[4-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]-3-oxopropyl]pyridin-2-one (CID 139000061) is 1-[3-[4-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]-3-oxopropyl]pyridin-2-one.
What is the SMILES notation for 1-[3-[4-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]-3-oxopropyl]pyridin-2-one?
The canonical SMILES for 1-[3-[4-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]-3-oxopropyl]pyridin-2-one is Cc1cc(C2CCN(C(=O)CCn3ccccc3=O)CC2)n[nH]1.
What is the InChIKey of 1-[3-[4-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]-3-oxopropyl]pyridin-2-one?
The InChIKey is QVECLFUQJLQQKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O2/c1-13-12-15(19-18-13)14-5-9-21(10-6-14)17(23)7-11-20-8-3-2-4-16(20)22/h2-4,8,12,14H,5-7,9-11H2,1H3,(H,18,19).
What are the key properties of 1-[3-[4-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]-3-oxopropyl]pyridin-2-one?
1-[3-[4-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]-3-oxopropyl]pyridin-2-one has a molecular weight of 314.39 g/mol, XLogP of 1.68, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[4-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]-3-oxopropyl]pyridin-2-one is sourced from PubChem (CID 139000061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).