[6-[(5R)-2-(4-hydroxycyclohexyl)-1-oxo-2,9-diazaspiro[4.5]decan-9-yl]-5-methoxy-3-pyridinyl] carbamate

C21H30N4O5 — CID 67503941

IUPAC[6-[(5R)-2-(4-hydroxycyclohexyl)-1-oxo-2,9-diazaspiro[4.5]decan-9-yl]-5-methoxy-3-pyridinyl] carbamate
SMILESCOc1cc(OC(N)=O)cnc1N1CCC[C@@]2(CCN(C3CCC(O)CC3)C2=O)C1
InChIInChI=1S/C21H30N4O5/c1-29-17-11-16(30-20(22)28)12-23-18(17)24-9-2-7-21(13-24)8-10-25(19(21)27)14-3-5-15(26)6-4-14/h11-12,14-15,26H,2-10,13H2,1H3,(H2,22,28)/t14?,15?,21-/m1/s1
InChIKeyBMMHGGVWEODTRH-ZGDBYOLNSA-N
MW418.49 g/mol
LogP1.67
Rot. Bonds4

About [6-[(5R)-2-(4-hydroxycyclohexyl)-1-oxo-2,9-diazaspiro[4.5]decan-9-yl]-5-methoxy-3-pyridinyl] carbamate

[6-[(5R)-2-(4-hydroxycyclohexyl)-1-oxo-2,9-diazaspiro[4.5]decan-9-yl]-5-methoxy-3-pyridinyl] carbamate (PubChem CID 67503941) has the molecular formula C21H30N4O5 and a molecular weight of 418.49 g/mol. Its IUPAC name is [6-[(5R)-2-(4-hydroxycyclohexyl)-1-oxo-2,9-diazaspiro[4.5]decan-9-yl]-5-methoxy-3-pyridinyl] carbamate.

Molecular Properties

Compound Name[6-[(5R)-2-(4-hydroxycyclohexyl)-1-oxo-2,9-diazaspiro[4.5]decan-9-yl]-5-methoxy-3-pyridinyl] carbamate
PubChem CID67503941
Molecular FormulaC21H30N4O5
Molecular Weight418.49 g/mol
Exact Mass418.22
IUPAC Name[6-[(5R)-2-(4-hydroxycyclohexyl)-1-oxo-2,9-diazaspiro[4.5]decan-9-yl]-5-methoxy-3-pyridinyl] carbamate
SMILESCOc1cc(OC(N)=O)cnc1N1CCC[C@@]2(CCN(C3CCC(O)CC3)C2=O)C1
InChIInChI=1S/C21H30N4O5/c1-29-17-11-16(30-20(22)28)12-23-18(17)24-9-2-7-21(13-24)8-10-25(19(21)27)14-3-5-15(26)6-4-14/h11-12,14-15,26H,2-10,13H2,1H3,(H2,22,28)/t14?,15?,21-/m1/s1
InChIKeyBMMHGGVWEODTRH-ZGDBYOLNSA-N
XLogP1.67
TPSA118.22 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.49
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [6-[(5R)-2-(4-hydroxycyclohexyl)-1-oxo-2,9-diazaspiro[4.5]decan-9-yl]-5-methoxy-3-pyridinyl] carbamate?
The IUPAC name of [6-[(5R)-2-(4-hydroxycyclohexyl)-1-oxo-2,9-diazaspiro[4.5]decan-9-yl]-5-methoxy-3-pyridinyl] carbamate (CID 67503941) is [6-[(5R)-2-(4-hydroxycyclohexyl)-1-oxo-2,9-diazaspiro[4.5]decan-9-yl]-5-methoxy-3-pyridinyl] carbamate.
What is the SMILES notation for [6-[(5R)-2-(4-hydroxycyclohexyl)-1-oxo-2,9-diazaspiro[4.5]decan-9-yl]-5-methoxy-3-pyridinyl] carbamate?
The canonical SMILES for [6-[(5R)-2-(4-hydroxycyclohexyl)-1-oxo-2,9-diazaspiro[4.5]decan-9-yl]-5-methoxy-3-pyridinyl] carbamate is COc1cc(OC(N)=O)cnc1N1CCC[C@@]2(CCN(C3CCC(O)CC3)C2=O)C1.
What is the InChIKey of [6-[(5R)-2-(4-hydroxycyclohexyl)-1-oxo-2,9-diazaspiro[4.5]decan-9-yl]-5-methoxy-3-pyridinyl] carbamate?
The InChIKey is BMMHGGVWEODTRH-ZGDBYOLNSA-N. The full InChI is InChI=1S/C21H30N4O5/c1-29-17-11-16(30-20(22)28)12-23-18(17)24-9-2-7-21(13-24)8-10-25(19(21)27)14-3-5-15(26)6-4-14/h11-12,14-15,26H,2-10,13H2,1H3,(H2,22,28)/t14?,15?,21-/m1/s1.
What are the key properties of [6-[(5R)-2-(4-hydroxycyclohexyl)-1-oxo-2,9-diazaspiro[4.5]decan-9-yl]-5-methoxy-3-pyridinyl] carbamate?
[6-[(5R)-2-(4-hydroxycyclohexyl)-1-oxo-2,9-diazaspiro[4.5]decan-9-yl]-5-methoxy-3-pyridinyl] carbamate has a molecular weight of 418.49 g/mol, XLogP of 1.67, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[(5R)-2-(4-hydroxycyclohexyl)-1-oxo-2,9-diazaspiro[4.5]decan-9-yl]-5-methoxy-3-pyridinyl] carbamate is sourced from PubChem (CID 67503941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).