[6-[2-(4-hydroxycyclohexyl)-1-oxo-2,9-diazaspiro[4.5]decan-9-yl]-5-methyl-3-pyridinyl]-methylcarbamic acid

C22H32N4O4 — CID 66722459

IUPAC[6-[2-(4-hydroxycyclohexyl)-1-oxo-2,9-diazaspiro[4.5]decan-9-yl]-5-methyl-3-pyridinyl]-methylcarbamic acid
SMILESCc1cc(N(C)C(=O)O)cnc1N1CCCC2(CCN(C3CCC(O)CC3)C2=O)C1
InChIInChI=1S/C22H32N4O4/c1-15-12-17(24(2)21(29)30)13-23-19(15)25-10-3-8-22(14-25)9-11-26(20(22)28)16-4-6-18(27)7-5-16/h12-13,16,18,27H,3-11,14H2,1-2H3,(H,29,30)
InChIKeyJCTPDLCNUORQBW-UHFFFAOYSA-N
MW416.52 g/mol
LogP2.63
Rot. Bonds3

About [6-[2-(4-hydroxycyclohexyl)-1-oxo-2,9-diazaspiro[4.5]decan-9-yl]-5-methyl-3-pyridinyl]-methylcarbamic acid

[6-[2-(4-hydroxycyclohexyl)-1-oxo-2,9-diazaspiro[4.5]decan-9-yl]-5-methyl-3-pyridinyl]-methylcarbamic acid (PubChem CID 66722459) has the molecular formula C22H32N4O4 and a molecular weight of 416.52 g/mol. Its IUPAC name is [6-[2-(4-hydroxycyclohexyl)-1-oxo-2,9-diazaspiro[4.5]decan-9-yl]-5-methyl-3-pyridinyl]-methylcarbamic acid.

Molecular Properties

Compound Name[6-[2-(4-hydroxycyclohexyl)-1-oxo-2,9-diazaspiro[4.5]decan-9-yl]-5-methyl-3-pyridinyl]-methylcarbamic acid
PubChem CID66722459
Molecular FormulaC22H32N4O4
Molecular Weight416.52 g/mol
Exact Mass416.24
IUPAC Name[6-[2-(4-hydroxycyclohexyl)-1-oxo-2,9-diazaspiro[4.5]decan-9-yl]-5-methyl-3-pyridinyl]-methylcarbamic acid
SMILESCc1cc(N(C)C(=O)O)cnc1N1CCCC2(CCN(C3CCC(O)CC3)C2=O)C1
InChIInChI=1S/C22H32N4O4/c1-15-12-17(24(2)21(29)30)13-23-19(15)25-10-3-8-22(14-25)9-11-26(20(22)28)16-4-6-18(27)7-5-16/h12-13,16,18,27H,3-11,14H2,1-2H3,(H,29,30)
InChIKeyJCTPDLCNUORQBW-UHFFFAOYSA-N
XLogP2.63
TPSA97.21 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.52
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [6-[2-(4-hydroxycyclohexyl)-1-oxo-2,9-diazaspiro[4.5]decan-9-yl]-5-methyl-3-pyridinyl]-methylcarbamic acid?
The IUPAC name of [6-[2-(4-hydroxycyclohexyl)-1-oxo-2,9-diazaspiro[4.5]decan-9-yl]-5-methyl-3-pyridinyl]-methylcarbamic acid (CID 66722459) is [6-[2-(4-hydroxycyclohexyl)-1-oxo-2,9-diazaspiro[4.5]decan-9-yl]-5-methyl-3-pyridinyl]-methylcarbamic acid.
What is the SMILES notation for [6-[2-(4-hydroxycyclohexyl)-1-oxo-2,9-diazaspiro[4.5]decan-9-yl]-5-methyl-3-pyridinyl]-methylcarbamic acid?
The canonical SMILES for [6-[2-(4-hydroxycyclohexyl)-1-oxo-2,9-diazaspiro[4.5]decan-9-yl]-5-methyl-3-pyridinyl]-methylcarbamic acid is Cc1cc(N(C)C(=O)O)cnc1N1CCCC2(CCN(C3CCC(O)CC3)C2=O)C1.
What is the InChIKey of [6-[2-(4-hydroxycyclohexyl)-1-oxo-2,9-diazaspiro[4.5]decan-9-yl]-5-methyl-3-pyridinyl]-methylcarbamic acid?
The InChIKey is JCTPDLCNUORQBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N4O4/c1-15-12-17(24(2)21(29)30)13-23-19(15)25-10-3-8-22(14-25)9-11-26(20(22)28)16-4-6-18(27)7-5-16/h12-13,16,18,27H,3-11,14H2,1-2H3,(H,29,30).
What are the key properties of [6-[2-(4-hydroxycyclohexyl)-1-oxo-2,9-diazaspiro[4.5]decan-9-yl]-5-methyl-3-pyridinyl]-methylcarbamic acid?
[6-[2-(4-hydroxycyclohexyl)-1-oxo-2,9-diazaspiro[4.5]decan-9-yl]-5-methyl-3-pyridinyl]-methylcarbamic acid has a molecular weight of 416.52 g/mol, XLogP of 2.63, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[2-(4-hydroxycyclohexyl)-1-oxo-2,9-diazaspiro[4.5]decan-9-yl]-5-methyl-3-pyridinyl]-methylcarbamic acid is sourced from PubChem (CID 66722459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).