4-cyclopentyl-9-(4-hydroxyphenyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one

C19H26N2O3 — CID 66784408

IUPAC4-cyclopentyl-9-(4-hydroxyphenyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
SMILESO=C1COC2(CCN(c3ccc(O)cc3)CC2)CN1C1CCCC1
InChIInChI=1S/C19H26N2O3/c22-17-7-5-15(6-8-17)20-11-9-19(10-12-20)14-21(18(23)13-24-19)16-3-1-2-4-16/h5-8,16,22H,1-4,9-14H2
InChIKeyJDZSMKXRCNWDOA-UHFFFAOYSA-N
MW330.43 g/mol
LogP2.53
Rot. Bonds2

About 4-cyclopentyl-9-(4-hydroxyphenyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one

4-cyclopentyl-9-(4-hydroxyphenyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one (PubChem CID 66784408) has the molecular formula C19H26N2O3 and a molecular weight of 330.43 g/mol. Its IUPAC name is 4-cyclopentyl-9-(4-hydroxyphenyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name4-cyclopentyl-9-(4-hydroxyphenyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
PubChem CID66784408
Molecular FormulaC19H26N2O3
Molecular Weight330.43 g/mol
Exact Mass330.19
IUPAC Name4-cyclopentyl-9-(4-hydroxyphenyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
SMILESO=C1COC2(CCN(c3ccc(O)cc3)CC2)CN1C1CCCC1
InChIInChI=1S/C19H26N2O3/c22-17-7-5-15(6-8-17)20-11-9-19(10-12-20)14-21(18(23)13-24-19)16-3-1-2-4-16/h5-8,16,22H,1-4,9-14H2
InChIKeyJDZSMKXRCNWDOA-UHFFFAOYSA-N
XLogP2.53
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-Hydroxyphenyl)-2-methyl-9-(2-phenylethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 118567550
4-(3-Hydroxyphenyl)-2-methyl-9-(2-phenylethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 118567552
4-(2-Hydroxyphenyl)-2-methyl-9-(2-phenylethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 118567618
3-[4-(4-Hydroxyphenyl)piperazin-1-yl]-1-(oxan-4-yl)pyrrolidin-2-one
CID 72109369
(4aS,9aS)-7-[(4-hydroxyphenyl)methyl]-4-phenyl-4a,5,6,8,9,9a-hexahydro-[1,4]oxazino[2,3-d]azepin-3-one
CID 134807435
(4aS,9aS)-7-[(2-hydroxyphenyl)methyl]-4-phenyl-4a,5,6,8,9,9a-hexahydro-[1,4]oxazino[2,3-d]azepin-3-one
CID 134810679
4-{4-[4-(2,2,2-Trifluoroethyl)morpholine-3-carbonyl]piperazin-1-yl}phenol
CID 137845044
9-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]-4-(2,2,2-trifluoroethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 66783512
4-(4-Fluorophenyl)-9-(4-hydroxyphenyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 66783675
4-(2-Fluorophenyl)-9-(4-hydroxyphenyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 66783952
9-(4-Hydroxyphenyl)-4-(2,2,2-trifluoroethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 66784022
4-(3-Fluorophenyl)-9-(4-hydroxyphenyl)-1-oxa-4,9-diazaspiro[5,5]undecan-3-one
CID 66784058

Frequently Asked Questions

What is the IUPAC name of 4-cyclopentyl-9-(4-hydroxyphenyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
The IUPAC name of 4-cyclopentyl-9-(4-hydroxyphenyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one (CID 66784408) is 4-cyclopentyl-9-(4-hydroxyphenyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for 4-cyclopentyl-9-(4-hydroxyphenyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for 4-cyclopentyl-9-(4-hydroxyphenyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one is O=C1COC2(CCN(c3ccc(O)cc3)CC2)CN1C1CCCC1.
What is the InChIKey of 4-cyclopentyl-9-(4-hydroxyphenyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
The InChIKey is JDZSMKXRCNWDOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O3/c22-17-7-5-15(6-8-17)20-11-9-19(10-12-20)14-21(18(23)13-24-19)16-3-1-2-4-16/h5-8,16,22H,1-4,9-14H2.
What are the key properties of 4-cyclopentyl-9-(4-hydroxyphenyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
4-cyclopentyl-9-(4-hydroxyphenyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one has a molecular weight of 330.43 g/mol, XLogP of 2.53, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopentyl-9-(4-hydroxyphenyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 66784408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).