(5S)-2-(4-methylpiperazine-1-carbonyl)-7-(oxan-4-yl)-2,7-diazaspiro[4.5]decan-6-one

C19H32N4O3 — CID 97113301

IUPAC(5S)-2-(4-methylpiperazine-1-carbonyl)-7-(oxan-4-yl)-2,7-diazaspiro[4.5]decan-6-one
SMILESCN1CCN(C(=O)N2CC[C@@]3(CCCN(C4CCOCC4)C3=O)C2)CC1
InChIInChI=1S/C19H32N4O3/c1-20-9-11-21(12-10-20)18(25)22-8-6-19(15-22)5-2-7-23(17(19)24)16-3-13-26-14-4-16/h16H,2-15H2,1H3/t19-/m0/s1
InChIKeyHIXJRUCIKIXCDD-IBGZPJMESA-N
MW364.49 g/mol
LogP0.85
Rot. Bonds1

About (5S)-2-(4-methylpiperazine-1-carbonyl)-7-(oxan-4-yl)-2,7-diazaspiro[4.5]decan-6-one

(5S)-2-(4-methylpiperazine-1-carbonyl)-7-(oxan-4-yl)-2,7-diazaspiro[4.5]decan-6-one (PubChem CID 97113301) has the molecular formula C19H32N4O3 and a molecular weight of 364.49 g/mol. Its IUPAC name is (5S)-2-(4-methylpiperazine-1-carbonyl)-7-(oxan-4-yl)-2,7-diazaspiro[4.5]decan-6-one.

Molecular Properties

Compound Name(5S)-2-(4-methylpiperazine-1-carbonyl)-7-(oxan-4-yl)-2,7-diazaspiro[4.5]decan-6-one
PubChem CID97113301
Molecular FormulaC19H32N4O3
Molecular Weight364.49 g/mol
Exact Mass364.25
IUPAC Name(5S)-2-(4-methylpiperazine-1-carbonyl)-7-(oxan-4-yl)-2,7-diazaspiro[4.5]decan-6-one
SMILESCN1CCN(C(=O)N2CC[C@@]3(CCCN(C4CCOCC4)C3=O)C2)CC1
InChIInChI=1S/C19H32N4O3/c1-20-9-11-21(12-10-20)18(25)22-8-6-19(15-22)5-2-7-23(17(19)24)16-3-13-26-14-4-16/h16H,2-15H2,1H3/t19-/m0/s1
InChIKeyHIXJRUCIKIXCDD-IBGZPJMESA-N
XLogP0.85
TPSA56.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.49
LogP ≤ 50.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (5S)-2-(4-methylpiperazine-1-carbonyl)-7-(oxan-4-yl)-2,7-diazaspiro[4.5]decan-6-one?
The IUPAC name of (5S)-2-(4-methylpiperazine-1-carbonyl)-7-(oxan-4-yl)-2,7-diazaspiro[4.5]decan-6-one (CID 97113301) is (5S)-2-(4-methylpiperazine-1-carbonyl)-7-(oxan-4-yl)-2,7-diazaspiro[4.5]decan-6-one.
What is the SMILES notation for (5S)-2-(4-methylpiperazine-1-carbonyl)-7-(oxan-4-yl)-2,7-diazaspiro[4.5]decan-6-one?
The canonical SMILES for (5S)-2-(4-methylpiperazine-1-carbonyl)-7-(oxan-4-yl)-2,7-diazaspiro[4.5]decan-6-one is CN1CCN(C(=O)N2CC[C@@]3(CCCN(C4CCOCC4)C3=O)C2)CC1.
What is the InChIKey of (5S)-2-(4-methylpiperazine-1-carbonyl)-7-(oxan-4-yl)-2,7-diazaspiro[4.5]decan-6-one?
The InChIKey is HIXJRUCIKIXCDD-IBGZPJMESA-N. The full InChI is InChI=1S/C19H32N4O3/c1-20-9-11-21(12-10-20)18(25)22-8-6-19(15-22)5-2-7-23(17(19)24)16-3-13-26-14-4-16/h16H,2-15H2,1H3/t19-/m0/s1.
What are the key properties of (5S)-2-(4-methylpiperazine-1-carbonyl)-7-(oxan-4-yl)-2,7-diazaspiro[4.5]decan-6-one?
(5S)-2-(4-methylpiperazine-1-carbonyl)-7-(oxan-4-yl)-2,7-diazaspiro[4.5]decan-6-one has a molecular weight of 364.49 g/mol, XLogP of 0.85, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-2-(4-methylpiperazine-1-carbonyl)-7-(oxan-4-yl)-2,7-diazaspiro[4.5]decan-6-one is sourced from PubChem (CID 97113301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).