(5S)-7-ethyl-2-[2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]acetyl]-2,7-diazaspiro[4.5]decan-6-one

C20H29N3O3 — CID 97133524

IUPAC(5S)-7-ethyl-2-[2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]acetyl]-2,7-diazaspiro[4.5]decan-6-one
SMILESCCc1nc(C)ccc1OCC(=O)N1CC[C@@]2(CCCN(CC)C2=O)C1
InChIInChI=1S/C20H29N3O3/c1-4-16-17(8-7-15(3)21-16)26-13-18(24)23-12-10-20(14-23)9-6-11-22(5-2)19(20)25/h7-8H,4-6,9-14H2,1-3H3/t20-/m0/s1
InChIKeyNYQNZAYPQCSCDE-FQEVSTJZSA-N
MW359.47 g/mol
LogP2.19
Rot. Bonds5

About (5S)-7-ethyl-2-[2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]acetyl]-2,7-diazaspiro[4.5]decan-6-one

(5S)-7-ethyl-2-[2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]acetyl]-2,7-diazaspiro[4.5]decan-6-one (PubChem CID 97133524) has the molecular formula C20H29N3O3 and a molecular weight of 359.47 g/mol. Its IUPAC name is (5S)-7-ethyl-2-[2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]acetyl]-2,7-diazaspiro[4.5]decan-6-one.

Molecular Properties

Compound Name(5S)-7-ethyl-2-[2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]acetyl]-2,7-diazaspiro[4.5]decan-6-one
PubChem CID97133524
Molecular FormulaC20H29N3O3
Molecular Weight359.47 g/mol
Exact Mass359.22
IUPAC Name(5S)-7-ethyl-2-[2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]acetyl]-2,7-diazaspiro[4.5]decan-6-one
SMILESCCc1nc(C)ccc1OCC(=O)N1CC[C@@]2(CCCN(CC)C2=O)C1
InChIInChI=1S/C20H29N3O3/c1-4-16-17(8-7-15(3)21-16)26-13-18(24)23-12-10-20(14-23)9-6-11-22(5-2)19(20)25/h7-8H,4-6,9-14H2,1-3H3/t20-/m0/s1
InChIKeyNYQNZAYPQCSCDE-FQEVSTJZSA-N
XLogP2.19
TPSA62.74 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.47
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (5S)-7-ethyl-2-[2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]acetyl]-2,7-diazaspiro[4.5]decan-6-one?
The IUPAC name of (5S)-7-ethyl-2-[2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]acetyl]-2,7-diazaspiro[4.5]decan-6-one (CID 97133524) is (5S)-7-ethyl-2-[2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]acetyl]-2,7-diazaspiro[4.5]decan-6-one.
What is the SMILES notation for (5S)-7-ethyl-2-[2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]acetyl]-2,7-diazaspiro[4.5]decan-6-one?
The canonical SMILES for (5S)-7-ethyl-2-[2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]acetyl]-2,7-diazaspiro[4.5]decan-6-one is CCc1nc(C)ccc1OCC(=O)N1CC[C@@]2(CCCN(CC)C2=O)C1.
What is the InChIKey of (5S)-7-ethyl-2-[2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]acetyl]-2,7-diazaspiro[4.5]decan-6-one?
The InChIKey is NYQNZAYPQCSCDE-FQEVSTJZSA-N. The full InChI is InChI=1S/C20H29N3O3/c1-4-16-17(8-7-15(3)21-16)26-13-18(24)23-12-10-20(14-23)9-6-11-22(5-2)19(20)25/h7-8H,4-6,9-14H2,1-3H3/t20-/m0/s1.
What are the key properties of (5S)-7-ethyl-2-[2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]acetyl]-2,7-diazaspiro[4.5]decan-6-one?
(5S)-7-ethyl-2-[2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]acetyl]-2,7-diazaspiro[4.5]decan-6-one has a molecular weight of 359.47 g/mol, XLogP of 2.19, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-7-ethyl-2-[2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]acetyl]-2,7-diazaspiro[4.5]decan-6-one is sourced from PubChem (CID 97133524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).