4-[1-(2-methoxyethyl)-6-oxopiperidine-3-carbonyl]-1-propylpiperazin-2-one

C16H27N3O4 — CID 131918848

IUPAC4-[1-(2-methoxyethyl)-6-oxopiperidine-3-carbonyl]-1-propylpiperazin-2-one
SMILESCCCN1CCN(C(=O)C2CCC(=O)N(CCOC)C2)CC1=O
InChIInChI=1S/C16H27N3O4/c1-3-6-17-7-8-19(12-15(17)21)16(22)13-4-5-14(20)18(11-13)9-10-23-2/h13H,3-12H2,1-2H3
InChIKeyVYAHZZNKVJIKSM-UHFFFAOYSA-N
MW325.41 g/mol
LogP-0.05
Rot. Bonds6

About 4-[1-(2-methoxyethyl)-6-oxopiperidine-3-carbonyl]-1-propylpiperazin-2-one

4-[1-(2-methoxyethyl)-6-oxopiperidine-3-carbonyl]-1-propylpiperazin-2-one (PubChem CID 131918848) has the molecular formula C16H27N3O4 and a molecular weight of 325.41 g/mol. Its IUPAC name is 4-[1-(2-methoxyethyl)-6-oxopiperidine-3-carbonyl]-1-propylpiperazin-2-one.

Molecular Properties

Compound Name4-[1-(2-methoxyethyl)-6-oxopiperidine-3-carbonyl]-1-propylpiperazin-2-one
PubChem CID131918848
Molecular FormulaC16H27N3O4
Molecular Weight325.41 g/mol
Exact Mass325.20
IUPAC Name4-[1-(2-methoxyethyl)-6-oxopiperidine-3-carbonyl]-1-propylpiperazin-2-one
SMILESCCCN1CCN(C(=O)C2CCC(=O)N(CCOC)C2)CC1=O
InChIInChI=1S/C16H27N3O4/c1-3-6-17-7-8-19(12-15(17)21)16(22)13-4-5-14(20)18(11-13)9-10-23-2/h13H,3-12H2,1-2H3
InChIKeyVYAHZZNKVJIKSM-UHFFFAOYSA-N
XLogP-0.05
TPSA70.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 5-0.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 1-(2-methoxyethyl)-6-oxopiperidine-3-carboxylate
CID 102569899
5-[4-(2,6-dimethyl-4-pyridinyl)piperazine-1-carbonyl]-1-(2-methoxyethyl)piperidin-2-one
CID 45192162
1-(2-methoxyethyl)-5-(oxazinane-2-carbonyl)piperidin-2-one
CID 45242060
7-[(3S)-6-oxo-1-propylpiperidine-3-carbonyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-3-carboxamide
CID 95200989
(5S)-5-(4-imidazo[1,2-b]pyridazin-6-ylpiperazine-1-carbonyl)-1-(2-methoxyethyl)piperidin-2-one
CID 126431316
5-(4-imidazo[1,2-b]pyridazin-6-ylpiperazine-1-carbonyl)-1-(2-methoxyethyl)piperidin-2-one
CID 119062976
(5S)-1-[2-(3-fluorophenyl)ethyl]-5-[4-(2-methoxyethyl)piperazine-1-carbonyl]piperidin-2-one
CID 26332109
1-cyclopentyl-4-[6-oxo-1-[3-(2-oxopyrrolidin-1-yl)propyl]piperidine-3-carbonyl]piperazin-2-one
CID 56707500
4-[1-[2-(dimethylamino)ethyl]-6-oxopiperidine-3-carbonyl]-1-[(4-fluorophenyl)methyl]piperazin-2-one
CID 45204392
(4R)-1-(2-methoxyethyl)-4-[(3S)-3-methylpiperidine-1-carbonyl]pyrrolidin-2-one
CID 94046017
1-(2-methoxyethyl)-4-[4-(2-phenylacetyl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 110346315
4-[1-(2-methoxyethyl)-5-oxopyrrolidine-3-carbonyl]piperazine-2,6-dione
CID 66085744

Frequently Asked Questions

What is the IUPAC name of 4-[1-(2-methoxyethyl)-6-oxopiperidine-3-carbonyl]-1-propylpiperazin-2-one?
The IUPAC name of 4-[1-(2-methoxyethyl)-6-oxopiperidine-3-carbonyl]-1-propylpiperazin-2-one (CID 131918848) is 4-[1-(2-methoxyethyl)-6-oxopiperidine-3-carbonyl]-1-propylpiperazin-2-one.
What is the SMILES notation for 4-[1-(2-methoxyethyl)-6-oxopiperidine-3-carbonyl]-1-propylpiperazin-2-one?
The canonical SMILES for 4-[1-(2-methoxyethyl)-6-oxopiperidine-3-carbonyl]-1-propylpiperazin-2-one is CCCN1CCN(C(=O)C2CCC(=O)N(CCOC)C2)CC1=O.
What is the InChIKey of 4-[1-(2-methoxyethyl)-6-oxopiperidine-3-carbonyl]-1-propylpiperazin-2-one?
The InChIKey is VYAHZZNKVJIKSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O4/c1-3-6-17-7-8-19(12-15(17)21)16(22)13-4-5-14(20)18(11-13)9-10-23-2/h13H,3-12H2,1-2H3.
What are the key properties of 4-[1-(2-methoxyethyl)-6-oxopiperidine-3-carbonyl]-1-propylpiperazin-2-one?
4-[1-(2-methoxyethyl)-6-oxopiperidine-3-carbonyl]-1-propylpiperazin-2-one has a molecular weight of 325.41 g/mol, XLogP of -0.05, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(2-methoxyethyl)-6-oxopiperidine-3-carbonyl]-1-propylpiperazin-2-one is sourced from PubChem (CID 131918848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).