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

C23H34N4O4 — CID 66722246

IUPAC[6-[(5S)-2-(4-hydroxycyclohexyl)-1-oxo-2,9-diazaspiro[4.5]decan-9-yl]-3-pyridinyl]-propylcarbamic acid
SMILESCCCN(C(=O)O)c1ccc(N2CCC[C@]3(CCN(C4CCC(O)CC4)C3=O)C2)nc1
InChIInChI=1S/C23H34N4O4/c1-2-12-27(22(30)31)18-6-9-20(24-15-18)25-13-3-10-23(16-25)11-14-26(21(23)29)17-4-7-19(28)8-5-17/h6,9,15,17,19,28H,2-5,7-8,10-14,16H2,1H3,(H,30,31)/t17?,19?,23-/m0/s1
InChIKeyYVAYSICEBFSUEB-WFHLNLCJSA-N
MW430.55 g/mol
LogP3.10
Rot. Bonds5

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

[6-[(5S)-2-(4-hydroxycyclohexyl)-1-oxo-2,9-diazaspiro[4.5]decan-9-yl]-3-pyridinyl]-propylcarbamic acid (PubChem CID 66722246) has the molecular formula C23H34N4O4 and a molecular weight of 430.55 g/mol. Its IUPAC name is [6-[(5S)-2-(4-hydroxycyclohexyl)-1-oxo-2,9-diazaspiro[4.5]decan-9-yl]-3-pyridinyl]-propylcarbamic acid.

Molecular Properties

Compound Name[6-[(5S)-2-(4-hydroxycyclohexyl)-1-oxo-2,9-diazaspiro[4.5]decan-9-yl]-3-pyridinyl]-propylcarbamic acid
PubChem CID66722246
Molecular FormulaC23H34N4O4
Molecular Weight430.55 g/mol
Exact Mass430.26
IUPAC Name[6-[(5S)-2-(4-hydroxycyclohexyl)-1-oxo-2,9-diazaspiro[4.5]decan-9-yl]-3-pyridinyl]-propylcarbamic acid
SMILESCCCN(C(=O)O)c1ccc(N2CCC[C@]3(CCN(C4CCC(O)CC4)C3=O)C2)nc1
InChIInChI=1S/C23H34N4O4/c1-2-12-27(22(30)31)18-6-9-20(24-15-18)25-13-3-10-23(16-25)11-14-26(21(23)29)17-4-7-19(28)8-5-17/h6,9,15,17,19,28H,2-5,7-8,10-14,16H2,1H3,(H,30,31)/t17?,19?,23-/m0/s1
InChIKeyYVAYSICEBFSUEB-WFHLNLCJSA-N
XLogP3.10
TPSA97.21 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.55
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [6-[(5S)-2-(4-hydroxycyclohexyl)-1-oxo-2,9-diazaspiro[4.5]decan-9-yl]-3-pyridinyl]-propylcarbamic acid?
The IUPAC name of [6-[(5S)-2-(4-hydroxycyclohexyl)-1-oxo-2,9-diazaspiro[4.5]decan-9-yl]-3-pyridinyl]-propylcarbamic acid (CID 66722246) is [6-[(5S)-2-(4-hydroxycyclohexyl)-1-oxo-2,9-diazaspiro[4.5]decan-9-yl]-3-pyridinyl]-propylcarbamic acid.
What is the SMILES notation for [6-[(5S)-2-(4-hydroxycyclohexyl)-1-oxo-2,9-diazaspiro[4.5]decan-9-yl]-3-pyridinyl]-propylcarbamic acid?
The canonical SMILES for [6-[(5S)-2-(4-hydroxycyclohexyl)-1-oxo-2,9-diazaspiro[4.5]decan-9-yl]-3-pyridinyl]-propylcarbamic acid is CCCN(C(=O)O)c1ccc(N2CCC[C@]3(CCN(C4CCC(O)CC4)C3=O)C2)nc1.
What is the InChIKey of [6-[(5S)-2-(4-hydroxycyclohexyl)-1-oxo-2,9-diazaspiro[4.5]decan-9-yl]-3-pyridinyl]-propylcarbamic acid?
The InChIKey is YVAYSICEBFSUEB-WFHLNLCJSA-N. The full InChI is InChI=1S/C23H34N4O4/c1-2-12-27(22(30)31)18-6-9-20(24-15-18)25-13-3-10-23(16-25)11-14-26(21(23)29)17-4-7-19(28)8-5-17/h6,9,15,17,19,28H,2-5,7-8,10-14,16H2,1H3,(H,30,31)/t17?,19?,23-/m0/s1.
What are the key properties of [6-[(5S)-2-(4-hydroxycyclohexyl)-1-oxo-2,9-diazaspiro[4.5]decan-9-yl]-3-pyridinyl]-propylcarbamic acid?
[6-[(5S)-2-(4-hydroxycyclohexyl)-1-oxo-2,9-diazaspiro[4.5]decan-9-yl]-3-pyridinyl]-propylcarbamic acid has a molecular weight of 430.55 g/mol, XLogP of 3.10, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[(5S)-2-(4-hydroxycyclohexyl)-1-oxo-2,9-diazaspiro[4.5]decan-9-yl]-3-pyridinyl]-propylcarbamic acid is sourced from PubChem (CID 66722246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).