[4-[(5R)-2-(oxan-4-yl)-1-oxo-2,9-diazaspiro[4.5]decan-9-yl]-2-propan-2-ylphenyl] carbamate

C23H33N3O4 — CID 142689599

IUPAC[4-[(5R)-2-(oxan-4-yl)-1-oxo-2,9-diazaspiro[4.5]decan-9-yl]-2-propan-2-ylphenyl] carbamate
SMILESCC(C)c1cc(N2CCC[C@@]3(CCN(C4CCOCC4)C3=O)C2)ccc1OC(N)=O
InChIInChI=1S/C23H33N3O4/c1-16(2)19-14-18(4-5-20(19)30-22(24)28)25-10-3-8-23(15-25)9-11-26(21(23)27)17-6-12-29-13-7-17/h4-5,14,16-17H,3,6-13,15H2,1-2H3,(H2,24,28)/t23-/m1/s1
InChIKeyJKPCTXHQPONWNP-HSZRJFAPSA-N
MW415.53 g/mol
LogP3.27
Rot. Bonds4

About [4-[(5R)-2-(oxan-4-yl)-1-oxo-2,9-diazaspiro[4.5]decan-9-yl]-2-propan-2-ylphenyl] carbamate

[4-[(5R)-2-(oxan-4-yl)-1-oxo-2,9-diazaspiro[4.5]decan-9-yl]-2-propan-2-ylphenyl] carbamate (PubChem CID 142689599) has the molecular formula C23H33N3O4 and a molecular weight of 415.53 g/mol. Its IUPAC name is [4-[(5R)-2-(oxan-4-yl)-1-oxo-2,9-diazaspiro[4.5]decan-9-yl]-2-propan-2-ylphenyl] carbamate.

Molecular Properties

Compound Name[4-[(5R)-2-(oxan-4-yl)-1-oxo-2,9-diazaspiro[4.5]decan-9-yl]-2-propan-2-ylphenyl] carbamate
PubChem CID142689599
Molecular FormulaC23H33N3O4
Molecular Weight415.53 g/mol
Exact Mass415.25
IUPAC Name[4-[(5R)-2-(oxan-4-yl)-1-oxo-2,9-diazaspiro[4.5]decan-9-yl]-2-propan-2-ylphenyl] carbamate
SMILESCC(C)c1cc(N2CCC[C@@]3(CCN(C4CCOCC4)C3=O)C2)ccc1OC(N)=O
InChIInChI=1S/C23H33N3O4/c1-16(2)19-14-18(4-5-20(19)30-22(24)28)25-10-3-8-23(15-25)9-11-26(21(23)27)17-6-12-29-13-7-17/h4-5,14,16-17H,3,6-13,15H2,1-2H3,(H2,24,28)/t23-/m1/s1
InChIKeyJKPCTXHQPONWNP-HSZRJFAPSA-N
XLogP3.27
TPSA85.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.53
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[3-ethyl-4-[(5R)-2-(4-hydroxycyclohexyl)-1-oxo-2,9-diazaspiro[4.5]decan-9-yl]-2-methylphenyl] carbamate
CID 142689608
(5R)-9-(5-chloro-2-pyridinyl)-2-(oxan-4-yl)-2,9-diazaspiro[4.5]decan-1-one
CID 58653470
[4-[2-(4-hydroxycyclohexyl)-1-oxo-2,9-diazaspiro[4.5]decan-9-yl]-2-methylphenyl] N-prop-2-ynylcarbamate
CID 91353467
[6-[(5R)-2-(4-hydroxycyclohexyl)-1-oxo-2,9-diazaspiro[4.5]decan-9-yl]-5-methoxy-3-pyridinyl] carbamate
CID 67503941
[4-[(5S)-2-(4-hydroxycyclohexyl)-1-oxo-2,9-diazaspiro[4.5]decan-9-yl]-2-methylphenyl]-methylcarbamic acid
CID 66722332
[4-[(5R)-2-cyclohexyl-1-oxo-2,9-diazaspiro[4.5]decan-9-yl]-3-(trifluoromethyl)phenyl] carbamate
CID 151811128
(5R)-7-(oxan-4-yl)-2-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-2,7-diazaspiro[4.5]decan-6-one
CID 97117710
(5R)-2-(oxan-4-yl)-9-pyridin-2-yl-2,9-diazaspiro[4.5]decan-1-one
CID 173174985
(5R)-2-(4-hydroxycyclohexyl)-9-[4-(isocyanomethyl)phenyl]-2,9-diazaspiro[4.5]decan-1-one
CID 58653261
N-[4-[(5R)-2-(4-hydroxycyclohexyl)-1-oxo-2,9-diazaspiro[4.5]decan-9-yl]phenyl]methanesulfonamide
CID 58653318
[4-[2-(4-hydroxycyclohexyl)-1-oxo-2,9-diazaspiro[4.5]decan-9-yl]-3-methylphenyl] N-methylcarbamate
CID 91531515
2-(5-methyl-1,2-oxazole-3-carbonyl)-7-(oxan-4-yl)-2,7-diazaspiro[4.5]decan-6-one
CID 72913600

Frequently Asked Questions

What is the IUPAC name of [4-[(5R)-2-(oxan-4-yl)-1-oxo-2,9-diazaspiro[4.5]decan-9-yl]-2-propan-2-ylphenyl] carbamate?
The IUPAC name of [4-[(5R)-2-(oxan-4-yl)-1-oxo-2,9-diazaspiro[4.5]decan-9-yl]-2-propan-2-ylphenyl] carbamate (CID 142689599) is [4-[(5R)-2-(oxan-4-yl)-1-oxo-2,9-diazaspiro[4.5]decan-9-yl]-2-propan-2-ylphenyl] carbamate.
What is the SMILES notation for [4-[(5R)-2-(oxan-4-yl)-1-oxo-2,9-diazaspiro[4.5]decan-9-yl]-2-propan-2-ylphenyl] carbamate?
The canonical SMILES for [4-[(5R)-2-(oxan-4-yl)-1-oxo-2,9-diazaspiro[4.5]decan-9-yl]-2-propan-2-ylphenyl] carbamate is CC(C)c1cc(N2CCC[C@@]3(CCN(C4CCOCC4)C3=O)C2)ccc1OC(N)=O.
What is the InChIKey of [4-[(5R)-2-(oxan-4-yl)-1-oxo-2,9-diazaspiro[4.5]decan-9-yl]-2-propan-2-ylphenyl] carbamate?
The InChIKey is JKPCTXHQPONWNP-HSZRJFAPSA-N. The full InChI is InChI=1S/C23H33N3O4/c1-16(2)19-14-18(4-5-20(19)30-22(24)28)25-10-3-8-23(15-25)9-11-26(21(23)27)17-6-12-29-13-7-17/h4-5,14,16-17H,3,6-13,15H2,1-2H3,(H2,24,28)/t23-/m1/s1.
What are the key properties of [4-[(5R)-2-(oxan-4-yl)-1-oxo-2,9-diazaspiro[4.5]decan-9-yl]-2-propan-2-ylphenyl] carbamate?
[4-[(5R)-2-(oxan-4-yl)-1-oxo-2,9-diazaspiro[4.5]decan-9-yl]-2-propan-2-ylphenyl] carbamate has a molecular weight of 415.53 g/mol, XLogP of 3.27, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(5R)-2-(oxan-4-yl)-1-oxo-2,9-diazaspiro[4.5]decan-9-yl]-2-propan-2-ylphenyl] carbamate is sourced from PubChem (CID 142689599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).