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

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

prop-2-ynyl N-[6-[(5R)-2-(4-hydroxycyclohexyl)-1-oxo-2,9-diazaspiro[4.5]decan-9-yl]-4-methyl-3-pyridinyl]carbamate (PubChem CID 58653319) has the molecular formula C24H32N4O4 and a molecular weight of 440.54 g/mol. Its IUPAC name is prop-2-ynyl N-[6-[(5R)-2-(4-hydroxycyclohexyl)-1-oxo-2,9-diazaspiro[4.5]decan-9-yl]-4-methyl-3-pyridinyl]carbamate.

Molecular Properties

Compound Name	prop-2-ynyl N-[6-[(5R)-2-(4-hydroxycyclohexyl)-1-oxo-2,9-diazaspiro[4.5]decan-9-yl]-4-methyl-3-pyridinyl]carbamate
PubChem CID	58653319
Molecular Formula	C24H32N4O4
Molecular Weight	440.54 g/mol
Exact Mass	440.24
IUPAC Name	prop-2-ynyl N-[6-[(5R)-2-(4-hydroxycyclohexyl)-1-oxo-2,9-diazaspiro[4.5]decan-9-yl]-4-methyl-3-pyridinyl]carbamate
SMILES	C#CCOC(=O)Nc1cnc(N2CCC[C@@]3(CCN(C4CCC(O)CC4)C3=O)C2)cc1C
InChI	InChI=1S/C24H32N4O4/c1-3-13-32-23(31)26-20-15-25-21(14-17(20)2)27-11-4-9-24(16-27)10-12-28(22(24)30)18-5-7-19(29)8-6-18/h1,14-15,18-19,29H,4-13,16H2,2H3,(H,26,31)/t18?,19?,24-/m1/s1
InChIKey	XHDVVLBUFVDVLB-RGELYXPASA-N
XLogP	2.69
TPSA	95.00 Å²
H-Bond Donors	2
H-Bond Acceptors	6
Rotatable Bonds	4
Heavy Atoms	32
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	440.54
LogP ≤ 5	2.69
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

Structural Alerts	{'alert_name': 'triple_bond', 'substructure': 'N/A'}

Related Compounds

Frequently Asked Questions

What is the IUPAC name of prop-2-ynyl N-[6-[(5R)-2-(4-hydroxycyclohexyl)-1-oxo-2,9-diazaspiro[4.5]decan-9-yl]-4-methyl-3-pyridinyl]carbamate?

The IUPAC name of prop-2-ynyl N-[6-[(5R)-2-(4-hydroxycyclohexyl)-1-oxo-2,9-diazaspiro[4.5]decan-9-yl]-4-methyl-3-pyridinyl]carbamate (CID 58653319) is prop-2-ynyl N-[6-[(5R)-2-(4-hydroxycyclohexyl)-1-oxo-2,9-diazaspiro[4.5]decan-9-yl]-4-methyl-3-pyridinyl]carbamate.

What is the SMILES notation for prop-2-ynyl N-[6-[(5R)-2-(4-hydroxycyclohexyl)-1-oxo-2,9-diazaspiro[4.5]decan-9-yl]-4-methyl-3-pyridinyl]carbamate?

The canonical SMILES for prop-2-ynyl N-[6-[(5R)-2-(4-hydroxycyclohexyl)-1-oxo-2,9-diazaspiro[4.5]decan-9-yl]-4-methyl-3-pyridinyl]carbamate is C#CCOC(=O)Nc1cnc(N2CCC[C@@]3(CCN(C4CCC(O)CC4)C3=O)C2)cc1C.

What is the InChIKey of prop-2-ynyl N-[6-[(5R)-2-(4-hydroxycyclohexyl)-1-oxo-2,9-diazaspiro[4.5]decan-9-yl]-4-methyl-3-pyridinyl]carbamate?

The InChIKey is XHDVVLBUFVDVLB-RGELYXPASA-N. The full InChI is InChI=1S/C24H32N4O4/c1-3-13-32-23(31)26-20-15-25-21(14-17(20)2)27-11-4-9-24(16-27)10-12-28(22(24)30)18-5-7-19(29)8-6-18/h1,14-15,18-19,29H,4-13,16H2,2H3,(H,26,31)/t18?,19?,24-/m1/s1.

What are the key properties of prop-2-ynyl N-[6-[(5R)-2-(4-hydroxycyclohexyl)-1-oxo-2,9-diazaspiro[4.5]decan-9-yl]-4-methyl-3-pyridinyl]carbamate?

prop-2-ynyl N-[6-[(5R)-2-(4-hydroxycyclohexyl)-1-oxo-2,9-diazaspiro[4.5]decan-9-yl]-4-methyl-3-pyridinyl]carbamate has a molecular weight of 440.54 g/mol, XLogP of 2.69, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for prop-2-ynyl N-[6-[(5R)-2-(4-hydroxycyclohexyl)-1-oxo-2,9-diazaspiro[4.5]decan-9-yl]-4-methyl-3-pyridinyl]carbamate is sourced from PubChem (CID 58653319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).