(6S)-1-ethyl-8-(6-methylpyridine-3-carbonyl)-1,8-diazaspiro[5.5]undecan-2-one

C18H25N3O2 — CID 97495441

IUPAC(6S)-1-ethyl-8-(6-methylpyridine-3-carbonyl)-1,8-diazaspiro[5.5]undecan-2-one
SMILESCCN1C(=O)CCC[C@@]12CCCN(C(=O)c1ccc(C)nc1)C2
InChIInChI=1S/C18H25N3O2/c1-3-21-16(22)6-4-9-18(21)10-5-11-20(13-18)17(23)15-8-7-14(2)19-12-15/h7-8,12H,3-6,9-11,13H2,1-2H3/t18-/m0/s1
InChIKeyBENKIVHUXNWTMT-SFHVURJKSA-N
MW315.42 g/mol
LogP2.40
Rot. Bonds2

About (6S)-1-ethyl-8-(6-methylpyridine-3-carbonyl)-1,8-diazaspiro[5.5]undecan-2-one

(6S)-1-ethyl-8-(6-methylpyridine-3-carbonyl)-1,8-diazaspiro[5.5]undecan-2-one (PubChem CID 97495441) has the molecular formula C18H25N3O2 and a molecular weight of 315.42 g/mol. Its IUPAC name is (6S)-1-ethyl-8-(6-methylpyridine-3-carbonyl)-1,8-diazaspiro[5.5]undecan-2-one.

Molecular Properties

Compound Name(6S)-1-ethyl-8-(6-methylpyridine-3-carbonyl)-1,8-diazaspiro[5.5]undecan-2-one
PubChem CID97495441
Molecular FormulaC18H25N3O2
Molecular Weight315.42 g/mol
Exact Mass315.19
IUPAC Name(6S)-1-ethyl-8-(6-methylpyridine-3-carbonyl)-1,8-diazaspiro[5.5]undecan-2-one
SMILESCCN1C(=O)CCC[C@@]12CCCN(C(=O)c1ccc(C)nc1)C2
InChIInChI=1S/C18H25N3O2/c1-3-21-16(22)6-4-9-18(21)10-5-11-20(13-18)17(23)15-8-7-14(2)19-12-15/h7-8,12H,3-6,9-11,13H2,1-2H3/t18-/m0/s1
InChIKeyBENKIVHUXNWTMT-SFHVURJKSA-N
XLogP2.40
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(6S)-1-methyl-8-(6-methylpyridine-3-carbonyl)-1,8-diazaspiro[5.5]undecan-2-one
CID 97495342
1-ethyl-8-(3-methyl-1,2-oxazole-4-carbonyl)-1,8-diazaspiro[5.5]undecan-2-one
CID 118739664
8-(3-chlorobenzoyl)-1-ethyl-1,8-diazaspiro[5.5]undecan-2-one
CID 134072985
1-ethyl-8-(5-methyl-1,2-oxazole-4-carbonyl)-1,8-diazaspiro[5.5]undecan-2-one
CID 134073200
(6S)-8-(5-methylpyrazine-2-carbonyl)-1-prop-2-enyl-1,8-diazaspiro[5.5]undecan-2-one
CID 97398639
(6R)-1-ethyl-N-(4-methylphenyl)-2-oxo-1,8-diazaspiro[5.5]undecane-8-carboxamide
CID 97495478
(6R)-1-methyl-8-(5-methylpyrazine-2-carbonyl)-1,8-diazaspiro[5.5]undecan-2-one
CID 97495317
N-(4-chlorophenyl)-1-ethyl-2-oxo-1,8-diazaspiro[5.5]undecane-8-carboxamide
CID 134070508
(6R)-1-prop-2-enyl-8-(quinoline-6-carbonyl)-1,8-diazaspiro[5.5]undecan-2-one
CID 97495568
8-[4-(dimethylamino)benzoyl]-1-prop-2-enyl-1,8-diazaspiro[5.5]undecan-2-one
CID 134070533
1-[2-(6-methylpyridine-3-carbonyl)-2,8-diazaspiro[4.5]decan-8-yl]ethanone
CID 134689506
8-(6-methylpyridine-3-carbonyl)-2-(2-pyridin-2-ylethyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 72845699

Frequently Asked Questions

What is the IUPAC name of (6S)-1-ethyl-8-(6-methylpyridine-3-carbonyl)-1,8-diazaspiro[5.5]undecan-2-one?
The IUPAC name of (6S)-1-ethyl-8-(6-methylpyridine-3-carbonyl)-1,8-diazaspiro[5.5]undecan-2-one (CID 97495441) is (6S)-1-ethyl-8-(6-methylpyridine-3-carbonyl)-1,8-diazaspiro[5.5]undecan-2-one.
What is the SMILES notation for (6S)-1-ethyl-8-(6-methylpyridine-3-carbonyl)-1,8-diazaspiro[5.5]undecan-2-one?
The canonical SMILES for (6S)-1-ethyl-8-(6-methylpyridine-3-carbonyl)-1,8-diazaspiro[5.5]undecan-2-one is CCN1C(=O)CCC[C@@]12CCCN(C(=O)c1ccc(C)nc1)C2.
What is the InChIKey of (6S)-1-ethyl-8-(6-methylpyridine-3-carbonyl)-1,8-diazaspiro[5.5]undecan-2-one?
The InChIKey is BENKIVHUXNWTMT-SFHVURJKSA-N. The full InChI is InChI=1S/C18H25N3O2/c1-3-21-16(22)6-4-9-18(21)10-5-11-20(13-18)17(23)15-8-7-14(2)19-12-15/h7-8,12H,3-6,9-11,13H2,1-2H3/t18-/m0/s1.
What are the key properties of (6S)-1-ethyl-8-(6-methylpyridine-3-carbonyl)-1,8-diazaspiro[5.5]undecan-2-one?
(6S)-1-ethyl-8-(6-methylpyridine-3-carbonyl)-1,8-diazaspiro[5.5]undecan-2-one has a molecular weight of 315.42 g/mol, XLogP of 2.40, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-1-ethyl-8-(6-methylpyridine-3-carbonyl)-1,8-diazaspiro[5.5]undecan-2-one is sourced from PubChem (CID 97495441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).