(3S)-4-[2-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxy-5-methoxybenzoyl]-1-ethyl-3-methylpiperazin-2-one

C24H33N3O5 — CID 70714732

IUPAC(3S)-4-[2-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxy-5-methoxybenzoyl]-1-ethyl-3-methylpiperazin-2-one
SMILESCCN1CCN(C(=O)c2cc(OC)ccc2OC2CCN(C(=O)C3CC3)CC2)[C@@H](C)C1=O
InChIInChI=1S/C24H33N3O5/c1-4-25-13-14-27(16(2)22(25)28)24(30)20-15-19(31-3)7-8-21(20)32-18-9-11-26(12-10-18)23(29)17-5-6-17/h7-8,15-18H,4-6,9-14H2,1-3H3/t16-/m0/s1
InChIKeyZQEHSUDJXLSXQB-INIZCTEOSA-N
MW443.54 g/mol
LogP2.17
Rot. Bonds6

About (3S)-4-[2-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxy-5-methoxybenzoyl]-1-ethyl-3-methylpiperazin-2-one

(3S)-4-[2-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxy-5-methoxybenzoyl]-1-ethyl-3-methylpiperazin-2-one (PubChem CID 70714732) has the molecular formula C24H33N3O5 and a molecular weight of 443.54 g/mol. Its IUPAC name is (3S)-4-[2-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxy-5-methoxybenzoyl]-1-ethyl-3-methylpiperazin-2-one.

Molecular Properties

Compound Name(3S)-4-[2-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxy-5-methoxybenzoyl]-1-ethyl-3-methylpiperazin-2-one
PubChem CID70714732
Molecular FormulaC24H33N3O5
Molecular Weight443.54 g/mol
Exact Mass443.24
IUPAC Name(3S)-4-[2-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxy-5-methoxybenzoyl]-1-ethyl-3-methylpiperazin-2-one
SMILESCCN1CCN(C(=O)c2cc(OC)ccc2OC2CCN(C(=O)C3CC3)CC2)[C@@H](C)C1=O
InChIInChI=1S/C24H33N3O5/c1-4-25-13-14-27(16(2)22(25)28)24(30)20-15-19(31-3)7-8-21(20)32-18-9-11-26(12-10-18)23(29)17-5-6-17/h7-8,15-18H,4-6,9-14H2,1-3H3/t16-/m0/s1
InChIKeyZQEHSUDJXLSXQB-INIZCTEOSA-N
XLogP2.17
TPSA79.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.54
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (3S)-4-[2-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxy-5-methoxybenzoyl]-1-ethyl-3-methylpiperazin-2-one with MolForge

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Related Compounds

(3S)-4-[4-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxybenzoyl]-1-ethyl-3-methylpiperazin-2-one
CID 26407564
2-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxy-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-5-methoxybenzamide
CID 26334227
(3S)-1-ethyl-4-[4-[1-(2-methoxyacetyl)piperidin-4-yl]oxybenzoyl]-3-methylpiperazin-2-one
CID 25386211
1-[4-[2-[(2S)-2-(2-hydroxyethyl)piperidine-1-carbonyl]-4-methoxyphenoxy]piperidin-1-yl]ethanone
CID 42096484
cyclopropyl-[4-(4-methoxyphenoxy)piperidin-1-yl]methanone
CID 110396800
2-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxy-N-[(2,5-difluorophenyl)methyl]-5-methoxybenzamide
CID 25277673
2-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxy-5-methoxy-N-(oxolan-2-ylmethyl)-N-propylbenzamide
CID 45173624
2-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxy-5-methoxy-N-methyl-N-[[(2S)-oxan-2-yl]methyl]benzamide
CID 42473774
N-[2-(cyclohexen-1-yl)ethyl]-2-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxy-5-methoxybenzamide
CID 42567551
[2-(1-cyclopentylpiperidin-4-yl)oxy-5-methoxyphenyl]-(4-methoxypiperidin-1-yl)methanone
CID 26407325
cyclopentyl-[4-(2,5-dimethoxybenzoyl)-1,4-diazepan-1-yl]methanone
CID 110807480
1-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-(2,5-dimethoxyphenyl)ethanone
CID 110800516

Frequently Asked Questions

What is the IUPAC name of (3S)-4-[2-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxy-5-methoxybenzoyl]-1-ethyl-3-methylpiperazin-2-one?
The IUPAC name of (3S)-4-[2-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxy-5-methoxybenzoyl]-1-ethyl-3-methylpiperazin-2-one (CID 70714732) is (3S)-4-[2-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxy-5-methoxybenzoyl]-1-ethyl-3-methylpiperazin-2-one.
What is the SMILES notation for (3S)-4-[2-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxy-5-methoxybenzoyl]-1-ethyl-3-methylpiperazin-2-one?
The canonical SMILES for (3S)-4-[2-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxy-5-methoxybenzoyl]-1-ethyl-3-methylpiperazin-2-one is CCN1CCN(C(=O)c2cc(OC)ccc2OC2CCN(C(=O)C3CC3)CC2)[C@@H](C)C1=O.
What is the InChIKey of (3S)-4-[2-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxy-5-methoxybenzoyl]-1-ethyl-3-methylpiperazin-2-one?
The InChIKey is ZQEHSUDJXLSXQB-INIZCTEOSA-N. The full InChI is InChI=1S/C24H33N3O5/c1-4-25-13-14-27(16(2)22(25)28)24(30)20-15-19(31-3)7-8-21(20)32-18-9-11-26(12-10-18)23(29)17-5-6-17/h7-8,15-18H,4-6,9-14H2,1-3H3/t16-/m0/s1.
What are the key properties of (3S)-4-[2-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxy-5-methoxybenzoyl]-1-ethyl-3-methylpiperazin-2-one?
(3S)-4-[2-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxy-5-methoxybenzoyl]-1-ethyl-3-methylpiperazin-2-one has a molecular weight of 443.54 g/mol, XLogP of 2.17, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-4-[2-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxy-5-methoxybenzoyl]-1-ethyl-3-methylpiperazin-2-one is sourced from PubChem (CID 70714732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).