1-ethyl-5-[[4-(piperidine-3-carbonyl)piperazin-1-yl]methyl]pyridin-2-one

C18H28N4O2 — CID 53191700

IUPAC1-ethyl-5-[[4-(piperidine-3-carbonyl)piperazin-1-yl]methyl]pyridin-2-one
SMILESCCn1cc(CN2CCN(C(=O)C3CCCNC3)CC2)ccc1=O
InChIInChI=1S/C18H28N4O2/c1-2-21-14-15(5-6-17(21)23)13-20-8-10-22(11-9-20)18(24)16-4-3-7-19-12-16/h5-6,14,16,19H,2-4,7-13H2,1H3
InChIKeyQFGQBISROWTLJD-UHFFFAOYSA-N
MW332.45 g/mol
LogP0.51
Rot. Bonds4

About 1-ethyl-5-[[4-(piperidine-3-carbonyl)piperazin-1-yl]methyl]pyridin-2-one

1-ethyl-5-[[4-(piperidine-3-carbonyl)piperazin-1-yl]methyl]pyridin-2-one (PubChem CID 53191700) has the molecular formula C18H28N4O2 and a molecular weight of 332.45 g/mol. Its IUPAC name is 1-ethyl-5-[[4-(piperidine-3-carbonyl)piperazin-1-yl]methyl]pyridin-2-one.

Molecular Properties

Compound Name1-ethyl-5-[[4-(piperidine-3-carbonyl)piperazin-1-yl]methyl]pyridin-2-one
PubChem CID53191700
Molecular FormulaC18H28N4O2
Molecular Weight332.45 g/mol
Exact Mass332.22
IUPAC Name1-ethyl-5-[[4-(piperidine-3-carbonyl)piperazin-1-yl]methyl]pyridin-2-one
SMILESCCn1cc(CN2CCN(C(=O)C3CCCNC3)CC2)ccc1=O
InChIInChI=1S/C18H28N4O2/c1-2-21-14-15(5-6-17(21)23)13-20-8-10-22(11-9-20)18(24)16-4-3-7-19-12-16/h5-6,14,16,19H,2-4,7-13H2,1H3
InChIKeyQFGQBISROWTLJD-UHFFFAOYSA-N
XLogP0.51
TPSA57.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.45
LogP ≤ 50.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-5-[[4-(piperidine-3-carbonyl)piperazin-1-yl]methyl]pyridin-2-one?
The IUPAC name of 1-ethyl-5-[[4-(piperidine-3-carbonyl)piperazin-1-yl]methyl]pyridin-2-one (CID 53191700) is 1-ethyl-5-[[4-(piperidine-3-carbonyl)piperazin-1-yl]methyl]pyridin-2-one.
What is the SMILES notation for 1-ethyl-5-[[4-(piperidine-3-carbonyl)piperazin-1-yl]methyl]pyridin-2-one?
The canonical SMILES for 1-ethyl-5-[[4-(piperidine-3-carbonyl)piperazin-1-yl]methyl]pyridin-2-one is CCn1cc(CN2CCN(C(=O)C3CCCNC3)CC2)ccc1=O.
What is the InChIKey of 1-ethyl-5-[[4-(piperidine-3-carbonyl)piperazin-1-yl]methyl]pyridin-2-one?
The InChIKey is QFGQBISROWTLJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4O2/c1-2-21-14-15(5-6-17(21)23)13-20-8-10-22(11-9-20)18(24)16-4-3-7-19-12-16/h5-6,14,16,19H,2-4,7-13H2,1H3.
What are the key properties of 1-ethyl-5-[[4-(piperidine-3-carbonyl)piperazin-1-yl]methyl]pyridin-2-one?
1-ethyl-5-[[4-(piperidine-3-carbonyl)piperazin-1-yl]methyl]pyridin-2-one has a molecular weight of 332.45 g/mol, XLogP of 0.51, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-5-[[4-(piperidine-3-carbonyl)piperazin-1-yl]methyl]pyridin-2-one is sourced from PubChem (CID 53191700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).