(3S)-8-(cyclobutylmethyl)-3-pyridin-3-yloxy-1-oxa-8-azaspiro[4.5]decane

C18H26N2O2 — CID 97395020

IUPAC(3S)-8-(cyclobutylmethyl)-3-pyridin-3-yloxy-1-oxa-8-azaspiro[4.5]decane
SMILESc1cncc(O[C@@H]2COC3(CCN(CC4CCC4)CC3)C2)c1
InChIInChI=1S/C18H26N2O2/c1-3-15(4-1)13-20-9-6-18(7-10-20)11-17(14-21-18)22-16-5-2-8-19-12-16/h2,5,8,12,15,17H,1,3-4,6-7,9-11,13-14H2/t17-/m0/s1
InChIKeyDEMQCRZRJDBLFO-KRWDZBQOSA-N
MW302.42 g/mol
LogP2.88
Rot. Bonds4

About (3S)-8-(cyclobutylmethyl)-3-pyridin-3-yloxy-1-oxa-8-azaspiro[4.5]decane

(3S)-8-(cyclobutylmethyl)-3-pyridin-3-yloxy-1-oxa-8-azaspiro[4.5]decane (PubChem CID 97395020) has the molecular formula C18H26N2O2 and a molecular weight of 302.42 g/mol. Its IUPAC name is (3S)-8-(cyclobutylmethyl)-3-pyridin-3-yloxy-1-oxa-8-azaspiro[4.5]decane.

Molecular Properties

Compound Name(3S)-8-(cyclobutylmethyl)-3-pyridin-3-yloxy-1-oxa-8-azaspiro[4.5]decane
PubChem CID97395020
Molecular FormulaC18H26N2O2
Molecular Weight302.42 g/mol
Exact Mass302.20
IUPAC Name(3S)-8-(cyclobutylmethyl)-3-pyridin-3-yloxy-1-oxa-8-azaspiro[4.5]decane
SMILESc1cncc(O[C@@H]2COC3(CCN(CC4CCC4)CC3)C2)c1
InChIInChI=1S/C18H26N2O2/c1-3-15(4-1)13-20-9-6-18(7-10-20)11-17(14-21-18)22-16-5-2-8-19-12-16/h2,5,8,12,15,17H,1,3-4,6-7,9-11,13-14H2/t17-/m0/s1
InChIKeyDEMQCRZRJDBLFO-KRWDZBQOSA-N
XLogP2.88
TPSA34.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

8-(cyclobutylmethyl)-3-pyridin-3-yloxy-1-oxa-8-azaspiro[4.5]decane
CID 131645469
9-(cyclobutylmethyl)-3-pyridin-3-yloxy-1-oxa-9-azaspiro[4.5]decane
CID 134071300
(3S,5R)-9-(cyclopropylmethyl)-3-pyridin-3-yloxy-1-oxa-9-azaspiro[4.5]decane
CID 97371627
(3S)-8-(cyclobutylmethyl)-3-phenoxy-1-oxa-8-azaspiro[4.5]decane
CID 97488488
8-(2-methoxyethyl)-3-pyridin-3-yloxy-1-oxa-8-azaspiro[4.5]decane
CID 134071228
8-(cyclobutylmethyl)-3-phenoxy-1-oxa-8-azaspiro[4.5]decane;2,2,2-trifluoroacetic acid
CID 155856222
8-[(5-methylfuran-2-yl)methyl]-3-pyridin-3-yloxy-1-oxa-8-azaspiro[4.5]decane
CID 131659879
[(3S)-3-pyridin-3-yloxy-1-oxa-8-azaspiro[4.5]decan-8-yl]-pyrrolidin-1-ylmethanone
CID 97488429
(3R)-8-(cyclobutylmethyl)-3-(pyridin-4-ylmethoxy)-1-oxa-8-azaspiro[4.5]decane
CID 97419083
8-cyclopropylsulfonyl-3-pyridin-3-yloxy-1-oxa-8-azaspiro[4.5]decane
CID 118745503
(3R,5S)-7-(furan-2-ylmethyl)-3-pyridin-3-yloxy-1-oxa-7-azaspiro[4.4]nonane
CID 97394419
(3S,5R)-7-cyclopropylsulfonyl-3-pyridin-3-yloxy-1-oxa-7-azaspiro[4.4]nonane
CID 124520551

Frequently Asked Questions

What is the IUPAC name of (3S)-8-(cyclobutylmethyl)-3-pyridin-3-yloxy-1-oxa-8-azaspiro[4.5]decane?
The IUPAC name of (3S)-8-(cyclobutylmethyl)-3-pyridin-3-yloxy-1-oxa-8-azaspiro[4.5]decane (CID 97395020) is (3S)-8-(cyclobutylmethyl)-3-pyridin-3-yloxy-1-oxa-8-azaspiro[4.5]decane.
What is the SMILES notation for (3S)-8-(cyclobutylmethyl)-3-pyridin-3-yloxy-1-oxa-8-azaspiro[4.5]decane?
The canonical SMILES for (3S)-8-(cyclobutylmethyl)-3-pyridin-3-yloxy-1-oxa-8-azaspiro[4.5]decane is c1cncc(O[C@@H]2COC3(CCN(CC4CCC4)CC3)C2)c1.
What is the InChIKey of (3S)-8-(cyclobutylmethyl)-3-pyridin-3-yloxy-1-oxa-8-azaspiro[4.5]decane?
The InChIKey is DEMQCRZRJDBLFO-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H26N2O2/c1-3-15(4-1)13-20-9-6-18(7-10-20)11-17(14-21-18)22-16-5-2-8-19-12-16/h2,5,8,12,15,17H,1,3-4,6-7,9-11,13-14H2/t17-/m0/s1.
What are the key properties of (3S)-8-(cyclobutylmethyl)-3-pyridin-3-yloxy-1-oxa-8-azaspiro[4.5]decane?
(3S)-8-(cyclobutylmethyl)-3-pyridin-3-yloxy-1-oxa-8-azaspiro[4.5]decane has a molecular weight of 302.42 g/mol, XLogP of 2.88, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-8-(cyclobutylmethyl)-3-pyridin-3-yloxy-1-oxa-8-azaspiro[4.5]decane is sourced from PubChem (CID 97395020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).