cyclopropyl-[4-[4-[(2R)-2-(methoxymethyl)piperidine-1-carbonyl]phenoxy]piperidin-1-yl]methanone

C23H32N2O4 — CID 26398196

IUPACcyclopropyl-[4-[4-[(2R)-2-(methoxymethyl)piperidine-1-carbonyl]phenoxy]piperidin-1-yl]methanone
SMILESCOC[C@H]1CCCCN1C(=O)c1ccc(OC2CCN(C(=O)C3CC3)CC2)cc1
InChIInChI=1S/C23H32N2O4/c1-28-16-19-4-2-3-13-25(19)23(27)18-7-9-20(10-8-18)29-21-11-14-24(15-12-21)22(26)17-5-6-17/h7-10,17,19,21H,2-6,11-16H2,1H3/t19-/m1/s1
InChIKeyFHKYXKTUIODVOE-LJQANCHMSA-N
MW400.52 g/mol
LogP3.11
Rot. Bonds6

About cyclopropyl-[4-[4-[(2R)-2-(methoxymethyl)piperidine-1-carbonyl]phenoxy]piperidin-1-yl]methanone

cyclopropyl-[4-[4-[(2R)-2-(methoxymethyl)piperidine-1-carbonyl]phenoxy]piperidin-1-yl]methanone (PubChem CID 26398196) has the molecular formula C23H32N2O4 and a molecular weight of 400.52 g/mol. Its IUPAC name is cyclopropyl-[4-[4-[(2R)-2-(methoxymethyl)piperidine-1-carbonyl]phenoxy]piperidin-1-yl]methanone.

Molecular Properties

Compound Namecyclopropyl-[4-[4-[(2R)-2-(methoxymethyl)piperidine-1-carbonyl]phenoxy]piperidin-1-yl]methanone
PubChem CID26398196
Molecular FormulaC23H32N2O4
Molecular Weight400.52 g/mol
Exact Mass400.24
IUPAC Namecyclopropyl-[4-[4-[(2R)-2-(methoxymethyl)piperidine-1-carbonyl]phenoxy]piperidin-1-yl]methanone
SMILESCOC[C@H]1CCCCN1C(=O)c1ccc(OC2CCN(C(=O)C3CC3)CC2)cc1
InChIInChI=1S/C23H32N2O4/c1-28-16-19-4-2-3-13-25(19)23(27)18-7-9-20(10-8-18)29-21-11-14-24(15-12-21)22(26)17-5-6-17/h7-10,17,19,21H,2-6,11-16H2,1H3/t19-/m1/s1
InChIKeyFHKYXKTUIODVOE-LJQANCHMSA-N
XLogP3.11
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.52
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

cyclopropyl-[4-[4-[(2S)-2-methylpiperidine-1-carbonyl]phenoxy]piperidin-1-yl]methanone
CID 42466727
cyclopropyl-[4-(4-methoxyphenoxy)piperidin-1-yl]methanone
CID 110396800
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
(3S)-4-[4-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxybenzoyl]-1-ethyl-3-methylpiperazin-2-one
CID 26407564
[4-(4-methoxyphenoxy)piperidin-1-yl]-(4-methoxyphenyl)methanone
CID 110396821
4-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxy-N-ethylbenzamide
CID 42153100
cyclopropyl-[4-[4-[(3R)-3-(4-fluorophenyl)pyrrolidine-1-carbonyl]phenoxy]piperidin-1-yl]methanone
CID 42116086
4-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxy-N-[2-[(2R)-1-methylpyrrolidin-2-yl]ethyl]benzamide
CID 42241527
cyclopentyl-[2-[[4-(pyrrolidine-1-carbonyl)phenoxy]methyl]pyrrolidin-1-yl]methanone
CID 50846638
4-[4-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxybenzoyl]piperazin-2-one
CID 72845459
methyl 1-[3-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxybenzoyl]piperidine-2-carboxylate
CID 24793925

Frequently Asked Questions

What is the IUPAC name of cyclopropyl-[4-[4-[(2R)-2-(methoxymethyl)piperidine-1-carbonyl]phenoxy]piperidin-1-yl]methanone?
The IUPAC name of cyclopropyl-[4-[4-[(2R)-2-(methoxymethyl)piperidine-1-carbonyl]phenoxy]piperidin-1-yl]methanone (CID 26398196) is cyclopropyl-[4-[4-[(2R)-2-(methoxymethyl)piperidine-1-carbonyl]phenoxy]piperidin-1-yl]methanone.
What is the SMILES notation for cyclopropyl-[4-[4-[(2R)-2-(methoxymethyl)piperidine-1-carbonyl]phenoxy]piperidin-1-yl]methanone?
The canonical SMILES for cyclopropyl-[4-[4-[(2R)-2-(methoxymethyl)piperidine-1-carbonyl]phenoxy]piperidin-1-yl]methanone is COC[C@H]1CCCCN1C(=O)c1ccc(OC2CCN(C(=O)C3CC3)CC2)cc1.
What is the InChIKey of cyclopropyl-[4-[4-[(2R)-2-(methoxymethyl)piperidine-1-carbonyl]phenoxy]piperidin-1-yl]methanone?
The InChIKey is FHKYXKTUIODVOE-LJQANCHMSA-N. The full InChI is InChI=1S/C23H32N2O4/c1-28-16-19-4-2-3-13-25(19)23(27)18-7-9-20(10-8-18)29-21-11-14-24(15-12-21)22(26)17-5-6-17/h7-10,17,19,21H,2-6,11-16H2,1H3/t19-/m1/s1.
What are the key properties of cyclopropyl-[4-[4-[(2R)-2-(methoxymethyl)piperidine-1-carbonyl]phenoxy]piperidin-1-yl]methanone?
cyclopropyl-[4-[4-[(2R)-2-(methoxymethyl)piperidine-1-carbonyl]phenoxy]piperidin-1-yl]methanone has a molecular weight of 400.52 g/mol, XLogP of 3.11, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-[4-[4-[(2R)-2-(methoxymethyl)piperidine-1-carbonyl]phenoxy]piperidin-1-yl]methanone is sourced from PubChem (CID 26398196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).