cyclopropyl-[4-[4-[(2S)-2-methylpiperidine-1-carbonyl]phenoxy]piperidin-1-yl]methanone

C22H30N2O3 — CID 42466727

IUPACcyclopropyl-[4-[4-[(2S)-2-methylpiperidine-1-carbonyl]phenoxy]piperidin-1-yl]methanone
SMILESC[C@H]1CCCCN1C(=O)c1ccc(OC2CCN(C(=O)C3CC3)CC2)cc1
InChIInChI=1S/C22H30N2O3/c1-16-4-2-3-13-24(16)22(26)18-7-9-19(10-8-18)27-20-11-14-23(15-12-20)21(25)17-5-6-17/h7-10,16-17,20H,2-6,11-15H2,1H3/t16-/m0/s1
InChIKeyNUYQDCFWVHGXSY-INIZCTEOSA-N
MW370.49 g/mol
LogP3.48
Rot. Bonds4

About cyclopropyl-[4-[4-[(2S)-2-methylpiperidine-1-carbonyl]phenoxy]piperidin-1-yl]methanone

cyclopropyl-[4-[4-[(2S)-2-methylpiperidine-1-carbonyl]phenoxy]piperidin-1-yl]methanone (PubChem CID 42466727) has the molecular formula C22H30N2O3 and a molecular weight of 370.49 g/mol. Its IUPAC name is cyclopropyl-[4-[4-[(2S)-2-methylpiperidine-1-carbonyl]phenoxy]piperidin-1-yl]methanone.

Molecular Properties

Compound Namecyclopropyl-[4-[4-[(2S)-2-methylpiperidine-1-carbonyl]phenoxy]piperidin-1-yl]methanone
PubChem CID42466727
Molecular FormulaC22H30N2O3
Molecular Weight370.49 g/mol
Exact Mass370.23
IUPAC Namecyclopropyl-[4-[4-[(2S)-2-methylpiperidine-1-carbonyl]phenoxy]piperidin-1-yl]methanone
SMILESC[C@H]1CCCCN1C(=O)c1ccc(OC2CCN(C(=O)C3CC3)CC2)cc1
InChIInChI=1S/C22H30N2O3/c1-16-4-2-3-13-24(16)22(26)18-7-9-19(10-8-18)27-20-11-14-23(15-12-20)21(25)17-5-6-17/h7-10,16-17,20H,2-6,11-15H2,1H3/t16-/m0/s1
InChIKeyNUYQDCFWVHGXSY-INIZCTEOSA-N
XLogP3.48
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.49
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze cyclopropyl-[4-[4-[(2S)-2-methylpiperidine-1-carbonyl]phenoxy]piperidin-1-yl]methanone with MolForge

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Related Compounds

cyclopropyl-[4-[4-[(2R)-2-(methoxymethyl)piperidine-1-carbonyl]phenoxy]piperidin-1-yl]methanone
CID 26398196
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
cyclopropyl-[4-(4-methoxyphenoxy)piperidin-1-yl]methanone
CID 110396800
(4-aminophenyl)-[(2S)-2-methylpiperidin-1-yl]methanone
CID 713107
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
N-[4-[(2R)-2-methylpiperidine-1-carbonyl]phenyl]acetamide
CID 669487
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
[1-(4-methylbenzoyl)piperidin-4-yl]-[(2R)-2-methylpiperidin-1-yl]methanone
CID 94861219

Frequently Asked Questions

What is the IUPAC name of cyclopropyl-[4-[4-[(2S)-2-methylpiperidine-1-carbonyl]phenoxy]piperidin-1-yl]methanone?
The IUPAC name of cyclopropyl-[4-[4-[(2S)-2-methylpiperidine-1-carbonyl]phenoxy]piperidin-1-yl]methanone (CID 42466727) is cyclopropyl-[4-[4-[(2S)-2-methylpiperidine-1-carbonyl]phenoxy]piperidin-1-yl]methanone.
What is the SMILES notation for cyclopropyl-[4-[4-[(2S)-2-methylpiperidine-1-carbonyl]phenoxy]piperidin-1-yl]methanone?
The canonical SMILES for cyclopropyl-[4-[4-[(2S)-2-methylpiperidine-1-carbonyl]phenoxy]piperidin-1-yl]methanone is C[C@H]1CCCCN1C(=O)c1ccc(OC2CCN(C(=O)C3CC3)CC2)cc1.
What is the InChIKey of cyclopropyl-[4-[4-[(2S)-2-methylpiperidine-1-carbonyl]phenoxy]piperidin-1-yl]methanone?
The InChIKey is NUYQDCFWVHGXSY-INIZCTEOSA-N. The full InChI is InChI=1S/C22H30N2O3/c1-16-4-2-3-13-24(16)22(26)18-7-9-19(10-8-18)27-20-11-14-23(15-12-20)21(25)17-5-6-17/h7-10,16-17,20H,2-6,11-15H2,1H3/t16-/m0/s1.
What are the key properties of cyclopropyl-[4-[4-[(2S)-2-methylpiperidine-1-carbonyl]phenoxy]piperidin-1-yl]methanone?
cyclopropyl-[4-[4-[(2S)-2-methylpiperidine-1-carbonyl]phenoxy]piperidin-1-yl]methanone has a molecular weight of 370.49 g/mol, XLogP of 3.48, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-[4-[4-[(2S)-2-methylpiperidine-1-carbonyl]phenoxy]piperidin-1-yl]methanone is sourced from PubChem (CID 42466727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).