(4R,5S)-4-methoxy-7-[1-(3-methoxyphenyl)piperidin-4-yl]-7-azaspiro[4.5]decane

C22H34N2O2 — CID 135108773

IUPAC(4R,5S)-4-methoxy-7-[1-(3-methoxyphenyl)piperidin-4-yl]-7-azaspiro[4.5]decane
SMILESCOc1cccc(N2CCC(N3CCC[C@@]4(CCC[C@H]4OC)C3)CC2)c1
InChIInChI=1S/C22H34N2O2/c1-25-20-7-3-6-19(16-20)23-14-9-18(10-15-23)24-13-5-12-22(17-24)11-4-8-21(22)26-2/h3,6-7,16,18,21H,4-5,8-15,17H2,1-2H3/t21-,22+/m1/s1
InChIKeyYGVFNLFZLIKIMO-YADHBBJMSA-N
MW358.53 g/mol
LogP3.95
Rot. Bonds4

About (4R,5S)-4-methoxy-7-[1-(3-methoxyphenyl)piperidin-4-yl]-7-azaspiro[4.5]decane

(4R,5S)-4-methoxy-7-[1-(3-methoxyphenyl)piperidin-4-yl]-7-azaspiro[4.5]decane (PubChem CID 135108773) has the molecular formula C22H34N2O2 and a molecular weight of 358.53 g/mol. Its IUPAC name is (4R,5S)-4-methoxy-7-[1-(3-methoxyphenyl)piperidin-4-yl]-7-azaspiro[4.5]decane.

Molecular Properties

Compound Name(4R,5S)-4-methoxy-7-[1-(3-methoxyphenyl)piperidin-4-yl]-7-azaspiro[4.5]decane
PubChem CID135108773
Molecular FormulaC22H34N2O2
Molecular Weight358.53 g/mol
Exact Mass358.26
IUPAC Name(4R,5S)-4-methoxy-7-[1-(3-methoxyphenyl)piperidin-4-yl]-7-azaspiro[4.5]decane
SMILESCOc1cccc(N2CCC(N3CCC[C@@]4(CCC[C@H]4OC)C3)CC2)c1
InChIInChI=1S/C22H34N2O2/c1-25-20-7-3-6-19(16-20)23-14-9-18(10-15-23)24-13-5-12-22(17-24)11-4-8-21(22)26-2/h3,6-7,16,18,21H,4-5,8-15,17H2,1-2H3/t21-,22+/m1/s1
InChIKeyYGVFNLFZLIKIMO-YADHBBJMSA-N
XLogP3.95
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.53
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(4R,5R)-4-methoxy-7-[1-(4-methylphenyl)piperidin-4-yl]-7-azaspiro[4.5]decane
CID 135109711
[(3S)-3-ethyl-1-[1-(3-methoxyphenyl)piperidin-4-yl]piperidin-3-yl]methanol
CID 97140954
1-[1-(3-methoxyphenyl)piperidin-4-yl]-4-methylpiperazine
CID 123493648
1-(3-methoxyphenyl)azepane
CID 57276431
4,4-difluoro-1-(3-methoxyphenyl)piperidine
CID 117007784
3-(fluoromethyl)-1-(3-methoxyphenyl)piperidin-3-amine
CID 115042632
(4R,5R)-7-[1-(4-fluorophenyl)piperidin-4-yl]-7-azaspiro[4.5]decan-4-ol
CID 135117835
(3R,9aR)-3-(3-methoxyphenyl)-1,2,4,6,7,8,9,9a-octahydroquinolizin-3-ol
CID 3044358
(1S,5R)-7-[1-(3-methoxyphenyl)piperidin-4-yl]-9-methyl-3-oxa-7,9-diazabicyclo[3.3.2]decane
CID 166620621
2-[4-(3-methoxyphenyl)piperazin-1-yl]cyclopentane-1-carbonitrile
CID 43291800
1-(5,5-dimethylpyrrolidin-3-yl)-4-(3-methoxyphenyl)piperazine
CID 82014446
[(3S)-3-(2-methoxyethyl)-1-(1-phenylpiperidin-4-yl)piperidin-3-yl]methanol
CID 97130641

Frequently Asked Questions

What is the IUPAC name of (4R,5S)-4-methoxy-7-[1-(3-methoxyphenyl)piperidin-4-yl]-7-azaspiro[4.5]decane?
The IUPAC name of (4R,5S)-4-methoxy-7-[1-(3-methoxyphenyl)piperidin-4-yl]-7-azaspiro[4.5]decane (CID 135108773) is (4R,5S)-4-methoxy-7-[1-(3-methoxyphenyl)piperidin-4-yl]-7-azaspiro[4.5]decane.
What is the SMILES notation for (4R,5S)-4-methoxy-7-[1-(3-methoxyphenyl)piperidin-4-yl]-7-azaspiro[4.5]decane?
The canonical SMILES for (4R,5S)-4-methoxy-7-[1-(3-methoxyphenyl)piperidin-4-yl]-7-azaspiro[4.5]decane is COc1cccc(N2CCC(N3CCC[C@@]4(CCC[C@H]4OC)C3)CC2)c1.
What is the InChIKey of (4R,5S)-4-methoxy-7-[1-(3-methoxyphenyl)piperidin-4-yl]-7-azaspiro[4.5]decane?
The InChIKey is YGVFNLFZLIKIMO-YADHBBJMSA-N. The full InChI is InChI=1S/C22H34N2O2/c1-25-20-7-3-6-19(16-20)23-14-9-18(10-15-23)24-13-5-12-22(17-24)11-4-8-21(22)26-2/h3,6-7,16,18,21H,4-5,8-15,17H2,1-2H3/t21-,22+/m1/s1.
What are the key properties of (4R,5S)-4-methoxy-7-[1-(3-methoxyphenyl)piperidin-4-yl]-7-azaspiro[4.5]decane?
(4R,5S)-4-methoxy-7-[1-(3-methoxyphenyl)piperidin-4-yl]-7-azaspiro[4.5]decane has a molecular weight of 358.53 g/mol, XLogP of 3.95, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5S)-4-methoxy-7-[1-(3-methoxyphenyl)piperidin-4-yl]-7-azaspiro[4.5]decane is sourced from PubChem (CID 135108773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).