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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Related Compounds

4-({4-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]piperidin-1-yl}carbonyl)-6-methylpyridin-2(1H)-one
CID 72840777
5-[[(3S)-1-[3-(2-oxopiperidin-1-yl)propanoyl]pyrrolidin-3-yl]methyl]-1H-pyridin-2-one
CID 97154346
(3S)-1-[2-(2-oxo-1H-pyridin-3-yl)acetyl]piperidine-3-carboxamide
CID 172675207
N-[3-(3-methylpiperidin-1-yl)-3-oxopropyl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide
CID 56308092
N-[(6-oxo-1H-pyridin-3-yl)methyl]-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 146122958
5-{[3-(pyrrolidin-1-ylcarbonyl)-1,4'-bipiperidin-1'-yl]carbonyl}pyridin-2(1H)-one
CID 56741378
N-cyclopropyl-1'-[(1-methyl-2-oxo-1,2-dihydropyridin-3-yl)carbonyl]-1,4'-bipiperidine-3-carboxamide
CID 56877310
2-(4-methylpiperidin-1-yl)-N-[(6-oxo-1H-pyridin-3-yl)methyl]-N-piperidin-4-ylacetamide
CID 66580325
2-(4-ethylpiperidin-1-yl)-N-[(6-oxo-1H-pyridin-3-yl)methyl]-N-piperidin-4-ylacetamide
CID 68185847
5-[2-amino-3-oxo-3-(4-piperidin-1-ylpiperidin-1-yl)propyl]-1H-pyridin-2-one
CID 69220336
5-methyl-3-(5-methyl-2-oxopiperidin-1-yl)-N-[6-(piperidin-4-ylcarbamoyl)cyclohexa-1,5-dien-1-yl]cyclohepta-1,3,6-triene-1-carboxamide
CID 137547586
ethane;5-methyl-3-(5-methyl-2-oxopiperidin-1-yl)-N-[6-(piperidin-4-ylcarbamoyl)cyclohexa-1,5-dien-1-yl]cyclohepta-1,3,6-triene-1-carboxamide
CID 142535329

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).