2-[4-(3-hydroxy-5,6,7,8-tetrahydronaphthalene-2-carbonyl)piperazin-1-yl]-1-(2-methylpiperidin-1-yl)ethanone

C23H33N3O3 — CID 48691563

IUPAC2-[4-(3-hydroxy-5,6,7,8-tetrahydronaphthalene-2-carbonyl)piperazin-1-yl]-1-(2-methylpiperidin-1-yl)ethanone
SMILESCC1CCCCN1C(=O)CN1CCN(C(=O)c2cc3c(cc2O)CCCC3)CC1
InChIInChI=1S/C23H33N3O3/c1-17-6-4-5-9-26(17)22(28)16-24-10-12-25(13-11-24)23(29)20-14-18-7-2-3-8-19(18)15-21(20)27/h14-15,17,27H,2-13,16H2,1H3
InChIKeyOHOZYYBIDLYDPR-UHFFFAOYSA-N
MW399.54 g/mol
LogP2.43
Rot. Bonds3

About 2-[4-(3-hydroxy-5,6,7,8-tetrahydronaphthalene-2-carbonyl)piperazin-1-yl]-1-(2-methylpiperidin-1-yl)ethanone

2-[4-(3-hydroxy-5,6,7,8-tetrahydronaphthalene-2-carbonyl)piperazin-1-yl]-1-(2-methylpiperidin-1-yl)ethanone (PubChem CID 48691563) has the molecular formula C23H33N3O3 and a molecular weight of 399.54 g/mol. Its IUPAC name is 2-[4-(3-hydroxy-5,6,7,8-tetrahydronaphthalene-2-carbonyl)piperazin-1-yl]-1-(2-methylpiperidin-1-yl)ethanone.

Molecular Properties

Compound Name2-[4-(3-hydroxy-5,6,7,8-tetrahydronaphthalene-2-carbonyl)piperazin-1-yl]-1-(2-methylpiperidin-1-yl)ethanone
PubChem CID48691563
Molecular FormulaC23H33N3O3
Molecular Weight399.54 g/mol
Exact Mass399.25
IUPAC Name2-[4-(3-hydroxy-5,6,7,8-tetrahydronaphthalene-2-carbonyl)piperazin-1-yl]-1-(2-methylpiperidin-1-yl)ethanone
SMILESCC1CCCCN1C(=O)CN1CCN(C(=O)c2cc3c(cc2O)CCCC3)CC1
InChIInChI=1S/C23H33N3O3/c1-17-6-4-5-9-26(17)22(28)16-24-10-12-25(13-11-24)23(29)20-14-18-7-2-3-8-19(18)15-21(20)27/h14-15,17,27H,2-13,16H2,1H3
InChIKeyOHOZYYBIDLYDPR-UHFFFAOYSA-N
XLogP2.43
TPSA64.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.54
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(3-hydroxypyridine-2-carbonyl)piperazin-1-yl]-1-[(2R)-2-methylpiperidin-1-yl]ethanone
CID 94824147
2-[4-(2-chloro-4-nitrobenzoyl)piperazin-1-yl]-1-(2-methylpiperidin-1-yl)ethanone
CID 55563969
2-[4-(1-aminocyclopropanecarbonyl)piperazin-1-yl]-1-(2-methylpiperidin-1-yl)ethanone
CID 119851376
1-(2-methylpiperidin-1-yl)-2-[4-(piperidine-2-carbonyl)piperazin-1-yl]ethanone
CID 119851394
1-(2-methylpiperidin-1-yl)-2-[4-(2-propan-2-ylquinoline-4-carbonyl)piperazin-1-yl]ethanone
CID 55563722
2-[(1S,2R)-2-hydroxycyclohexyl]-1-[4-[2-[(2S)-2-methylpiperidin-1-yl]-2-oxoethyl]piperazin-1-yl]ethanone
CID 124881787
2-methyl-6-[4-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]piperazine-1-carbonyl]pyridazin-3-one
CID 134043793
ethyl 2-[4-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]acetate
CID 134055468
N,N-diethyl-4-(3-hydroxy-5,6,7,8-tetrahydronaphthalene-2-carbonyl)piperazine-1-carboxamide
CID 48691697
3-[4-[2-[(2S)-2-methylpiperidin-1-yl]-2-oxoethyl]piperazine-1-carbonyl]-2H-isoquinolin-1-one
CID 36548987
2-[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]-1-(2-methylpiperidin-1-yl)ethanone
CID 79410340
2-[4-(2-chloroprop-2-enyl)piperazin-1-yl]-1-(2-methylpiperidin-1-yl)ethanone
CID 134001219

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-hydroxy-5,6,7,8-tetrahydronaphthalene-2-carbonyl)piperazin-1-yl]-1-(2-methylpiperidin-1-yl)ethanone?
The IUPAC name of 2-[4-(3-hydroxy-5,6,7,8-tetrahydronaphthalene-2-carbonyl)piperazin-1-yl]-1-(2-methylpiperidin-1-yl)ethanone (CID 48691563) is 2-[4-(3-hydroxy-5,6,7,8-tetrahydronaphthalene-2-carbonyl)piperazin-1-yl]-1-(2-methylpiperidin-1-yl)ethanone.
What is the SMILES notation for 2-[4-(3-hydroxy-5,6,7,8-tetrahydronaphthalene-2-carbonyl)piperazin-1-yl]-1-(2-methylpiperidin-1-yl)ethanone?
The canonical SMILES for 2-[4-(3-hydroxy-5,6,7,8-tetrahydronaphthalene-2-carbonyl)piperazin-1-yl]-1-(2-methylpiperidin-1-yl)ethanone is CC1CCCCN1C(=O)CN1CCN(C(=O)c2cc3c(cc2O)CCCC3)CC1.
What is the InChIKey of 2-[4-(3-hydroxy-5,6,7,8-tetrahydronaphthalene-2-carbonyl)piperazin-1-yl]-1-(2-methylpiperidin-1-yl)ethanone?
The InChIKey is OHOZYYBIDLYDPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33N3O3/c1-17-6-4-5-9-26(17)22(28)16-24-10-12-25(13-11-24)23(29)20-14-18-7-2-3-8-19(18)15-21(20)27/h14-15,17,27H,2-13,16H2,1H3.
What are the key properties of 2-[4-(3-hydroxy-5,6,7,8-tetrahydronaphthalene-2-carbonyl)piperazin-1-yl]-1-(2-methylpiperidin-1-yl)ethanone?
2-[4-(3-hydroxy-5,6,7,8-tetrahydronaphthalene-2-carbonyl)piperazin-1-yl]-1-(2-methylpiperidin-1-yl)ethanone has a molecular weight of 399.54 g/mol, XLogP of 2.43, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-hydroxy-5,6,7,8-tetrahydronaphthalene-2-carbonyl)piperazin-1-yl]-1-(2-methylpiperidin-1-yl)ethanone is sourced from PubChem (CID 48691563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).