(2-ethyl-4-pyridin-2-yl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)-[4-(1-hydroxycyclohexyl)phenyl]methanone;molecular hydrogen

C28H39N3O3 — CID 160922404

IUPAC(2-ethyl-4-pyridin-2-yl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)-[4-(1-hydroxycyclohexyl)phenyl]methanone;molecular hydrogen
SMILESCCC1CN(c2ccccn2)CC2(CCN(C(=O)c3ccc(C4(O)CCCCC4)cc3)CC2)O1.[H][H]
InChIInChI=1S/C28H37N3O3.H2/c1-2-24-20-31(25-8-4-7-17-29-25)21-27(34-24)15-18-30(19-16-27)26(32)22-9-11-23(12-10-22)28(33)13-5-3-6-14-28;/h4,7-12,17,24,33H,2-3,5-6,13-16,18-21H2,1H3;1H
InChIKeySSEWNOURTPXLSV-UHFFFAOYSA-N
MW465.64 g/mol
LogP4.77
Rot. Bonds4

About (2-ethyl-4-pyridin-2-yl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)-[4-(1-hydroxycyclohexyl)phenyl]methanone;molecular hydrogen

(2-ethyl-4-pyridin-2-yl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)-[4-(1-hydroxycyclohexyl)phenyl]methanone;molecular hydrogen (PubChem CID 160922404) has the molecular formula C28H39N3O3 and a molecular weight of 465.64 g/mol. Its IUPAC name is (2-ethyl-4-pyridin-2-yl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)-[4-(1-hydroxycyclohexyl)phenyl]methanone;molecular hydrogen.

Molecular Properties

Compound Name(2-ethyl-4-pyridin-2-yl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)-[4-(1-hydroxycyclohexyl)phenyl]methanone;molecular hydrogen
PubChem CID160922404
Molecular FormulaC28H39N3O3
Molecular Weight465.64 g/mol
Exact Mass465.30
IUPAC Name(2-ethyl-4-pyridin-2-yl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)-[4-(1-hydroxycyclohexyl)phenyl]methanone;molecular hydrogen
SMILESCCC1CN(c2ccccn2)CC2(CCN(C(=O)c3ccc(C4(O)CCCCC4)cc3)CC2)O1.[H][H]
InChIInChI=1S/C28H37N3O3.H2/c1-2-24-20-31(25-8-4-7-17-29-25)21-27(34-24)15-18-30(19-16-27)26(32)22-9-11-23(12-10-22)28(33)13-5-3-6-14-28;/h4,7-12,17,24,33H,2-3,5-6,13-16,18-21H2,1H3;1H
InChIKeySSEWNOURTPXLSV-UHFFFAOYSA-N
XLogP4.77
TPSA65.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.64
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (2-ethyl-4-pyridin-2-yl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)-[4-(1-hydroxycyclohexyl)phenyl]methanone;molecular hydrogen with MolForge

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Related Compounds

[4-(cyclopenten-1-yl)-3-fluorophenyl]-(2-ethyl-4-pyrimidin-2-yl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)methanone
CID 70906328
(4-butylphenyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 17217519
(4-methoxyphenyl)-(2-pyridin-2-yl-2,9-diazaspiro[5.5]undecan-9-yl)methanone
CID 3235378
N-pentyl-4-(4-pyridin-2-ylpiperazine-1-carbonyl)benzamide
CID 109048339
N-[4-(4-pyridin-2-ylpiperazine-1-carbonyl)phenyl]acetamide
CID 18166383
N-butan-2-yl-4-(4-pyridin-2-ylpiperazine-1-carbonyl)benzamide
CID 109044082
(4-but-2-ynyl-2-ethyl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)-(4-ethoxy-3-methylphenyl)methanone
CID 70906425
[2-(azepan-1-yl)-4-pyridinyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 109174556
3-methyl-4-(4-pyridin-2-ylpiperazine-1-carbonyl)-1-oxaspiro[4.5]dec-3-en-2-one
CID 10760677
[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 109154550
furan-2-yl-(2-pyridin-2-yl-2,7-diazaspiro[3.5]nonan-7-yl)methanone
CID 3233080
(4-methyl-3-nitrophenyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 878223

Frequently Asked Questions

What is the IUPAC name of (2-ethyl-4-pyridin-2-yl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)-[4-(1-hydroxycyclohexyl)phenyl]methanone;molecular hydrogen?
The IUPAC name of (2-ethyl-4-pyridin-2-yl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)-[4-(1-hydroxycyclohexyl)phenyl]methanone;molecular hydrogen (CID 160922404) is (2-ethyl-4-pyridin-2-yl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)-[4-(1-hydroxycyclohexyl)phenyl]methanone;molecular hydrogen.
What is the SMILES notation for (2-ethyl-4-pyridin-2-yl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)-[4-(1-hydroxycyclohexyl)phenyl]methanone;molecular hydrogen?
The canonical SMILES for (2-ethyl-4-pyridin-2-yl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)-[4-(1-hydroxycyclohexyl)phenyl]methanone;molecular hydrogen is CCC1CN(c2ccccn2)CC2(CCN(C(=O)c3ccc(C4(O)CCCCC4)cc3)CC2)O1.[H][H].
What is the InChIKey of (2-ethyl-4-pyridin-2-yl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)-[4-(1-hydroxycyclohexyl)phenyl]methanone;molecular hydrogen?
The InChIKey is SSEWNOURTPXLSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H37N3O3.H2/c1-2-24-20-31(25-8-4-7-17-29-25)21-27(34-24)15-18-30(19-16-27)26(32)22-9-11-23(12-10-22)28(33)13-5-3-6-14-28;/h4,7-12,17,24,33H,2-3,5-6,13-16,18-21H2,1H3;1H.
What are the key properties of (2-ethyl-4-pyridin-2-yl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)-[4-(1-hydroxycyclohexyl)phenyl]methanone;molecular hydrogen?
(2-ethyl-4-pyridin-2-yl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)-[4-(1-hydroxycyclohexyl)phenyl]methanone;molecular hydrogen has a molecular weight of 465.64 g/mol, XLogP of 4.77, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethyl-4-pyridin-2-yl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)-[4-(1-hydroxycyclohexyl)phenyl]methanone;molecular hydrogen is sourced from PubChem (CID 160922404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).