(6R)-2-butyl-8-(4-morpholin-4-ylbutanoyl)-2,8-diazaspiro[5.5]undecan-3-one

C21H37N3O3 — CID 97113092

IUPAC(6R)-2-butyl-8-(4-morpholin-4-ylbutanoyl)-2,8-diazaspiro[5.5]undecan-3-one
SMILESCCCCN1C[C@@]2(CCCN(C(=O)CCCN3CCOCC3)C2)CCC1=O
InChIInChI=1S/C21H37N3O3/c1-2-3-11-23-17-21(9-7-20(23)26)8-5-12-24(18-21)19(25)6-4-10-22-13-15-27-16-14-22/h2-18H2,1H3/t21-/m1/s1
InChIKeyMTYDREZRBLWQOB-OAQYLSRUSA-N
MW379.55 g/mol
LogP2.13
Rot. Bonds7

About (6R)-2-butyl-8-(4-morpholin-4-ylbutanoyl)-2,8-diazaspiro[5.5]undecan-3-one

(6R)-2-butyl-8-(4-morpholin-4-ylbutanoyl)-2,8-diazaspiro[5.5]undecan-3-one (PubChem CID 97113092) has the molecular formula C21H37N3O3 and a molecular weight of 379.55 g/mol. Its IUPAC name is (6R)-2-butyl-8-(4-morpholin-4-ylbutanoyl)-2,8-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name(6R)-2-butyl-8-(4-morpholin-4-ylbutanoyl)-2,8-diazaspiro[5.5]undecan-3-one
PubChem CID97113092
Molecular FormulaC21H37N3O3
Molecular Weight379.55 g/mol
Exact Mass379.28
IUPAC Name(6R)-2-butyl-8-(4-morpholin-4-ylbutanoyl)-2,8-diazaspiro[5.5]undecan-3-one
SMILESCCCCN1C[C@@]2(CCCN(C(=O)CCCN3CCOCC3)C2)CCC1=O
InChIInChI=1S/C21H37N3O3/c1-2-3-11-23-17-21(9-7-20(23)26)8-5-12-24(18-21)19(25)6-4-10-22-13-15-27-16-14-22/h2-18H2,1H3/t21-/m1/s1
InChIKeyMTYDREZRBLWQOB-OAQYLSRUSA-N
XLogP2.13
TPSA53.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.55
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (6R)-2-butyl-8-(4-morpholin-4-ylbutanoyl)-2,8-diazaspiro[5.5]undecan-3-one with MolForge

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Related Compounds

2-butyl-8-[3-(5-methyltetrazol-1-yl)propanoyl]-2,8-diazaspiro[5.5]undecan-3-one
CID 70740209
2-butyl-8-[2-(2-methoxyethoxy)acetyl]-2,8-diazaspiro[5.5]undecan-3-one
CID 72936910
(6R)-2-(2-methoxyethyl)-8-[3-(4-methylpiperazin-1-yl)propanoyl]-2,8-diazaspiro[5.5]undecan-3-one
CID 97130386
2-butyl-8-(5-propyl-1,2-oxazole-3-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 70735392
2-butyl-8-(5-propan-2-yl-1,2-oxazole-3-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 70755554
2-butyl-8-(2,3-difluorobenzoyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 70713127
(6R)-8-hexanoyl-2-(pyridin-3-ylmethyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 95869220
2-(2-methoxyethyl)-8-(4-thiophen-2-ylbutanoyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 72860662
2-(2-methoxyethyl)-8-[4-(2-methylimidazol-1-yl)butanoyl]-2,8-diazaspiro[5.5]undecan-3-one
CID 72889188
(6S)-8-[2-(4-ethylpiperazin-1-yl)acetyl]-2-(3-methylbutyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 97278959
8-(3-imidazol-1-ylpropanoyl)-2-(3-methoxypropyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 70732876
2-butyl-8-(2-cyclopropyl-4-methylpyrimidine-5-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 72902306

Frequently Asked Questions

What is the IUPAC name of (6R)-2-butyl-8-(4-morpholin-4-ylbutanoyl)-2,8-diazaspiro[5.5]undecan-3-one?
The IUPAC name of (6R)-2-butyl-8-(4-morpholin-4-ylbutanoyl)-2,8-diazaspiro[5.5]undecan-3-one (CID 97113092) is (6R)-2-butyl-8-(4-morpholin-4-ylbutanoyl)-2,8-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for (6R)-2-butyl-8-(4-morpholin-4-ylbutanoyl)-2,8-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for (6R)-2-butyl-8-(4-morpholin-4-ylbutanoyl)-2,8-diazaspiro[5.5]undecan-3-one is CCCCN1C[C@@]2(CCCN(C(=O)CCCN3CCOCC3)C2)CCC1=O.
What is the InChIKey of (6R)-2-butyl-8-(4-morpholin-4-ylbutanoyl)-2,8-diazaspiro[5.5]undecan-3-one?
The InChIKey is MTYDREZRBLWQOB-OAQYLSRUSA-N. The full InChI is InChI=1S/C21H37N3O3/c1-2-3-11-23-17-21(9-7-20(23)26)8-5-12-24(18-21)19(25)6-4-10-22-13-15-27-16-14-22/h2-18H2,1H3/t21-/m1/s1.
What are the key properties of (6R)-2-butyl-8-(4-morpholin-4-ylbutanoyl)-2,8-diazaspiro[5.5]undecan-3-one?
(6R)-2-butyl-8-(4-morpholin-4-ylbutanoyl)-2,8-diazaspiro[5.5]undecan-3-one has a molecular weight of 379.55 g/mol, XLogP of 2.13, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-2-butyl-8-(4-morpholin-4-ylbutanoyl)-2,8-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 97113092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).