4-[2-hydroxy-3-[1-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)naphthalen-2-yl]oxypropyl]piperazin-2-one

C23H29N3O3 — CID 176505450

IUPAC4-[2-hydroxy-3-[1-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)naphthalen-2-yl]oxypropyl]piperazin-2-one
SMILESCN1CC=C(c2c(OCC(O)CN3CCNC(=O)C3)ccc3ccccc23)CC1
InChIInChI=1S/C23H29N3O3/c1-25-11-8-18(9-12-25)23-20-5-3-2-4-17(20)6-7-21(23)29-16-19(27)14-26-13-10-24-22(28)15-26/h2-8,19,27H,9-16H2,1H3,(H,24,28)
InChIKeyBOWSXADKEDZZAZ-UHFFFAOYSA-N
MW395.50 g/mol
LogP1.73
Rot. Bonds6

About 4-[2-hydroxy-3-[1-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)naphthalen-2-yl]oxypropyl]piperazin-2-one

4-[2-hydroxy-3-[1-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)naphthalen-2-yl]oxypropyl]piperazin-2-one (PubChem CID 176505450) has the molecular formula C23H29N3O3 and a molecular weight of 395.50 g/mol. Its IUPAC name is 4-[2-hydroxy-3-[1-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)naphthalen-2-yl]oxypropyl]piperazin-2-one.

Molecular Properties

Compound Name4-[2-hydroxy-3-[1-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)naphthalen-2-yl]oxypropyl]piperazin-2-one
PubChem CID176505450
Molecular FormulaC23H29N3O3
Molecular Weight395.50 g/mol
Exact Mass395.22
IUPAC Name4-[2-hydroxy-3-[1-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)naphthalen-2-yl]oxypropyl]piperazin-2-one
SMILESCN1CC=C(c2c(OCC(O)CN3CCNC(=O)C3)ccc3ccccc23)CC1
InChIInChI=1S/C23H29N3O3/c1-25-11-8-18(9-12-25)23-20-5-3-2-4-17(20)6-7-21(23)29-16-19(27)14-26-13-10-24-22(28)15-26/h2-8,19,27H,9-16H2,1H3,(H,24,28)
InChIKeyBOWSXADKEDZZAZ-UHFFFAOYSA-N
XLogP1.73
TPSA65.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.50
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-(2-hydroxy-3-naphthalen-1-yloxypropyl)piperazin-2-one
CID 18081715
1-(2-hydroxy-3-naphthalen-1-yloxypropyl)-1,4-diazepan-5-one
CID 110882982
4-[(2S)-2-hydroxy-3-phenoxypropyl]piperazin-2-one
CID 2421334
4-[(2S)-3-(4-acetyl-2-methoxyphenoxy)-2-hydroxypropyl]piperazin-2-one
CID 51640549
1-[2-hydroxy-3-(2-methylphenoxy)propyl]-1,4-diazepan-5-one
CID 110908640
4-[[3-[(2R)-2-hydroxy-3-(4-methylpiperazin-1-yl)propoxy]-4-methoxyphenyl]methyl]piperazin-2-one
CID 97278766
4-[3-(4-ethylphenoxy)-2-hydroxypropyl]piperazin-2-one
CID 18086489
2-[2-hydroxy-3-(5-oxo-1,4-diazepan-1-yl)propoxy]benzonitrile
CID 63003932
4-[2-hydroxy-3-(3-oxopiperazin-1-yl)propoxy]benzonitrile
CID 43213542
ethyl 4-[2-hydroxy-3-(3-oxopiperazin-1-yl)propoxy]benzoate
CID 18125623
4-(2-hydroxy-3-propan-2-yloxypropyl)piperazin-2-one
CID 78782890
4-[[4-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropoxy]phenyl]methyl]piperazin-2-one
CID 45179310

Frequently Asked Questions

What is the IUPAC name of 4-[2-hydroxy-3-[1-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)naphthalen-2-yl]oxypropyl]piperazin-2-one?
The IUPAC name of 4-[2-hydroxy-3-[1-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)naphthalen-2-yl]oxypropyl]piperazin-2-one (CID 176505450) is 4-[2-hydroxy-3-[1-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)naphthalen-2-yl]oxypropyl]piperazin-2-one.
What is the SMILES notation for 4-[2-hydroxy-3-[1-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)naphthalen-2-yl]oxypropyl]piperazin-2-one?
The canonical SMILES for 4-[2-hydroxy-3-[1-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)naphthalen-2-yl]oxypropyl]piperazin-2-one is CN1CC=C(c2c(OCC(O)CN3CCNC(=O)C3)ccc3ccccc23)CC1.
What is the InChIKey of 4-[2-hydroxy-3-[1-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)naphthalen-2-yl]oxypropyl]piperazin-2-one?
The InChIKey is BOWSXADKEDZZAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O3/c1-25-11-8-18(9-12-25)23-20-5-3-2-4-17(20)6-7-21(23)29-16-19(27)14-26-13-10-24-22(28)15-26/h2-8,19,27H,9-16H2,1H3,(H,24,28).
What are the key properties of 4-[2-hydroxy-3-[1-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)naphthalen-2-yl]oxypropyl]piperazin-2-one?
4-[2-hydroxy-3-[1-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)naphthalen-2-yl]oxypropyl]piperazin-2-one has a molecular weight of 395.50 g/mol, XLogP of 1.73, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-hydroxy-3-[1-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)naphthalen-2-yl]oxypropyl]piperazin-2-one is sourced from PubChem (CID 176505450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).