methane;(5R)-5-methyl-2-[4-[4-(1-methylcyclopropyl)phenyl]piperidine-1-carbonyl]-6-oxaspiro[3.4]octan-7-one

C25H35NO3 — CID 167622480

IUPACmethane;(5R)-5-methyl-2-[4-[4-(1-methylcyclopropyl)phenyl]piperidine-1-carbonyl]-6-oxaspiro[3.4]octan-7-one
SMILESC.C[C@H]1OC(=O)CC12CC(C(=O)N1CCC(c3ccc(C4(C)CC4)cc3)CC1)C2
InChIInChI=1S/C24H31NO3.CH4/c1-16-24(15-21(26)28-16)13-19(14-24)22(27)25-11-7-18(8-12-25)17-3-5-20(6-4-17)23(2)9-10-23;/h3-6,16,18-19H,7-15H2,1-2H3;1H4/t16-,19?,24?;/m1./s1
InChIKeyMQFXNEBKDXNFQX-KESKXZEZSA-N
MW397.56 g/mol
LogP4.81
Rot. Bonds3

About methane;(5R)-5-methyl-2-[4-[4-(1-methylcyclopropyl)phenyl]piperidine-1-carbonyl]-6-oxaspiro[3.4]octan-7-one

methane;(5R)-5-methyl-2-[4-[4-(1-methylcyclopropyl)phenyl]piperidine-1-carbonyl]-6-oxaspiro[3.4]octan-7-one (PubChem CID 167622480) has the molecular formula C25H35NO3 and a molecular weight of 397.56 g/mol. Its IUPAC name is methane;(5R)-5-methyl-2-[4-[4-(1-methylcyclopropyl)phenyl]piperidine-1-carbonyl]-6-oxaspiro[3.4]octan-7-one.

Molecular Properties

Compound Namemethane;(5R)-5-methyl-2-[4-[4-(1-methylcyclopropyl)phenyl]piperidine-1-carbonyl]-6-oxaspiro[3.4]octan-7-one
PubChem CID167622480
Molecular FormulaC25H35NO3
Molecular Weight397.56 g/mol
Exact Mass397.26
IUPAC Namemethane;(5R)-5-methyl-2-[4-[4-(1-methylcyclopropyl)phenyl]piperidine-1-carbonyl]-6-oxaspiro[3.4]octan-7-one
SMILESC.C[C@H]1OC(=O)CC12CC(C(=O)N1CCC(c3ccc(C4(C)CC4)cc3)CC1)C2
InChIInChI=1S/C24H31NO3.CH4/c1-16-24(15-21(26)28-16)13-19(14-24)22(27)25-11-7-18(8-12-25)17-3-5-20(6-4-17)23(2)9-10-23;/h3-6,16,18-19H,7-15H2,1-2H3;1H4/t16-,19?,24?;/m1./s1
InChIKeyMQFXNEBKDXNFQX-KESKXZEZSA-N
XLogP4.81
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.56
LogP ≤ 54.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze methane;(5R)-5-methyl-2-[4-[4-(1-methylcyclopropyl)phenyl]piperidine-1-carbonyl]-6-oxaspiro[3.4]octan-7-one with MolForge

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Related Compounds

2-[4-(4-methylphenyl)piperidine-1-carbonyl]-6-oxaspiro[3.4]octan-7-one
CID 167608649
(8R)-2-[4-(4-tert-butylphenyl)piperidine-1-carbonyl]-8-methyl-7-oxa-5-azaspiro[3.4]octan-6-one
CID 156864446
2-[4-(4-methylsulfanylphenyl)piperidine-1-carbonyl]-6-oxaspiro[3.4]octan-7-one
CID 167665472
2-[4-(4-tert-butylphenyl)piperidine-1-carbonyl]spiro[3.4]octan-7-one
CID 167704899
2-[4-[4-methoxy-3-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-6-oxaspiro[3.4]octan-7-one
CID 167645136
cyclopropyl-[4-(4-ethenylphenyl)piperidin-1-yl]methanone
CID 176576901
2-[4-(4-butan-2-ylphenyl)piperidine-1-carbonyl]-5-azaspiro[3.4]octan-6-one
CID 156864450
(1-methylpiperidin-4-yl)-(4-phenylpiperidin-1-yl)methanone
CID 91806523
[(6S)-6-(4-cyclopropylphenyl)-2-azaspiro[3.4]octan-2-yl]-(3-hydroxy-3-methylcyclobutyl)methanone;sulfane
CID 165095352
[3-(3-hydroxyoxetan-3-yl)phenyl]-[4-(4-methylphenyl)piperidin-1-yl]methanone
CID 156537068
methyl N-[3-[4-(3-chloro-4-methylphenyl)piperidine-1-carbonyl]-1-methylcyclobutyl]carbamate
CID 163667030
[4-(3-methoxyoxetan-3-yl)phenyl]-[4-[4-(trifluoromethyl)phenyl]piperidin-1-yl]methanone
CID 156536891

Frequently Asked Questions

What is the IUPAC name of methane;(5R)-5-methyl-2-[4-[4-(1-methylcyclopropyl)phenyl]piperidine-1-carbonyl]-6-oxaspiro[3.4]octan-7-one?
The IUPAC name of methane;(5R)-5-methyl-2-[4-[4-(1-methylcyclopropyl)phenyl]piperidine-1-carbonyl]-6-oxaspiro[3.4]octan-7-one (CID 167622480) is methane;(5R)-5-methyl-2-[4-[4-(1-methylcyclopropyl)phenyl]piperidine-1-carbonyl]-6-oxaspiro[3.4]octan-7-one.
What is the SMILES notation for methane;(5R)-5-methyl-2-[4-[4-(1-methylcyclopropyl)phenyl]piperidine-1-carbonyl]-6-oxaspiro[3.4]octan-7-one?
The canonical SMILES for methane;(5R)-5-methyl-2-[4-[4-(1-methylcyclopropyl)phenyl]piperidine-1-carbonyl]-6-oxaspiro[3.4]octan-7-one is C.C[C@H]1OC(=O)CC12CC(C(=O)N1CCC(c3ccc(C4(C)CC4)cc3)CC1)C2.
What is the InChIKey of methane;(5R)-5-methyl-2-[4-[4-(1-methylcyclopropyl)phenyl]piperidine-1-carbonyl]-6-oxaspiro[3.4]octan-7-one?
The InChIKey is MQFXNEBKDXNFQX-KESKXZEZSA-N. The full InChI is InChI=1S/C24H31NO3.CH4/c1-16-24(15-21(26)28-16)13-19(14-24)22(27)25-11-7-18(8-12-25)17-3-5-20(6-4-17)23(2)9-10-23;/h3-6,16,18-19H,7-15H2,1-2H3;1H4/t16-,19?,24?;/m1./s1.
What are the key properties of methane;(5R)-5-methyl-2-[4-[4-(1-methylcyclopropyl)phenyl]piperidine-1-carbonyl]-6-oxaspiro[3.4]octan-7-one?
methane;(5R)-5-methyl-2-[4-[4-(1-methylcyclopropyl)phenyl]piperidine-1-carbonyl]-6-oxaspiro[3.4]octan-7-one has a molecular weight of 397.56 g/mol, XLogP of 4.81, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methane;(5R)-5-methyl-2-[4-[4-(1-methylcyclopropyl)phenyl]piperidine-1-carbonyl]-6-oxaspiro[3.4]octan-7-one is sourced from PubChem (CID 167622480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).