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

C23H31N3O4 — CID 26407564

IUPAC(3S)-4-[4-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxybenzoyl]-1-ethyl-3-methylpiperazin-2-one
SMILESCCN1CCN(C(=O)c2ccc(OC3CCN(C(=O)C4CC4)CC3)cc2)[C@@H](C)C1=O
InChIInChI=1S/C23H31N3O4/c1-3-24-14-15-26(16(2)21(24)27)23(29)18-6-8-19(9-7-18)30-20-10-12-25(13-11-20)22(28)17-4-5-17/h6-9,16-17,20H,3-5,10-15H2,1-2H3/t16-/m0/s1
InChIKeyOSINOIFFFDPJOM-INIZCTEOSA-N
MW413.52 g/mol
LogP2.16
Rot. Bonds5

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

(3S)-4-[4-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxybenzoyl]-1-ethyl-3-methylpiperazin-2-one (PubChem CID 26407564) has the molecular formula C23H31N3O4 and a molecular weight of 413.52 g/mol. Its IUPAC name is (3S)-4-[4-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxybenzoyl]-1-ethyl-3-methylpiperazin-2-one.

Molecular Properties

Compound Name(3S)-4-[4-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxybenzoyl]-1-ethyl-3-methylpiperazin-2-one
PubChem CID26407564
Molecular FormulaC23H31N3O4
Molecular Weight413.52 g/mol
Exact Mass413.23
IUPAC Name(3S)-4-[4-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxybenzoyl]-1-ethyl-3-methylpiperazin-2-one
SMILESCCN1CCN(C(=O)c2ccc(OC3CCN(C(=O)C4CC4)CC3)cc2)[C@@H](C)C1=O
InChIInChI=1S/C23H31N3O4/c1-3-24-14-15-26(16(2)21(24)27)23(29)18-6-8-19(9-7-18)30-20-10-12-25(13-11-20)22(28)17-4-5-17/h6-9,16-17,20H,3-5,10-15H2,1-2H3/t16-/m0/s1
InChIKeyOSINOIFFFDPJOM-INIZCTEOSA-N
XLogP2.16
TPSA70.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.52
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

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Related Compounds

(3S)-1-ethyl-4-[4-[1-(2-methoxyacetyl)piperidin-4-yl]oxybenzoyl]-3-methylpiperazin-2-one
CID 25386211
(3S)-4-[2-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxy-5-methoxybenzoyl]-1-ethyl-3-methylpiperazin-2-one
CID 70714732
cyclopropyl-[4-[4-[(2S)-2-methylpiperidine-1-carbonyl]phenoxy]piperidin-1-yl]methanone
CID 42466727
cyclopropyl-[4-[4-[(2R)-2-(methoxymethyl)piperidine-1-carbonyl]phenoxy]piperidin-1-yl]methanone
CID 26398196
4-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxy-N-ethylbenzamide
CID 42153100
cyclopropyl-[4-[4-[(2R)-2-propan-2-yl-2,5-dihydropyrrole-1-carbonyl]phenoxy]piperidin-1-yl]methanone
CID 97271242
cyclopropyl-[4-[4-(2-propan-2-yl-2,5-dihydropyrrole-1-carbonyl)phenoxy]piperidin-1-yl]methanone
CID 72854891
cyclopropyl-[4-(4-methoxyphenoxy)piperidin-1-yl]methanone
CID 110396800
4-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxy-N-[[(3S)-1-ethyl-5-oxopyrrolidin-3-yl]methyl]-N-methylbenzamide
CID 42189573
4-[4-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxybenzoyl]piperazin-2-one
CID 72845459
(4S)-4-[4-(4-chlorophenoxy)piperidine-1-carbonyl]-1-ethylpyrrolidin-2-one
CID 97141344
ethyl 4-[[4-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxybenzoyl]amino]piperidine-1-carboxylate
CID 25378335

Frequently Asked Questions

What is the IUPAC name of (3S)-4-[4-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxybenzoyl]-1-ethyl-3-methylpiperazin-2-one?
The IUPAC name of (3S)-4-[4-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxybenzoyl]-1-ethyl-3-methylpiperazin-2-one (CID 26407564) is (3S)-4-[4-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxybenzoyl]-1-ethyl-3-methylpiperazin-2-one.
What is the SMILES notation for (3S)-4-[4-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxybenzoyl]-1-ethyl-3-methylpiperazin-2-one?
The canonical SMILES for (3S)-4-[4-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxybenzoyl]-1-ethyl-3-methylpiperazin-2-one is CCN1CCN(C(=O)c2ccc(OC3CCN(C(=O)C4CC4)CC3)cc2)[C@@H](C)C1=O.
What is the InChIKey of (3S)-4-[4-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxybenzoyl]-1-ethyl-3-methylpiperazin-2-one?
The InChIKey is OSINOIFFFDPJOM-INIZCTEOSA-N. The full InChI is InChI=1S/C23H31N3O4/c1-3-24-14-15-26(16(2)21(24)27)23(29)18-6-8-19(9-7-18)30-20-10-12-25(13-11-20)22(28)17-4-5-17/h6-9,16-17,20H,3-5,10-15H2,1-2H3/t16-/m0/s1.
What are the key properties of (3S)-4-[4-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxybenzoyl]-1-ethyl-3-methylpiperazin-2-one?
(3S)-4-[4-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxybenzoyl]-1-ethyl-3-methylpiperazin-2-one has a molecular weight of 413.52 g/mol, XLogP of 2.16, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-4-[4-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxybenzoyl]-1-ethyl-3-methylpiperazin-2-one is sourced from PubChem (CID 26407564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).