7-(cyclopropylmethyl)-2-(1-ethyl-2-oxopyridine-4-carbonyl)-2,7-diazaspiro[4.5]decan-6-one

C20H27N3O3 — CID 72902847

IUPAC7-(cyclopropylmethyl)-2-(1-ethyl-2-oxopyridine-4-carbonyl)-2,7-diazaspiro[4.5]decan-6-one
SMILESCCn1ccc(C(=O)N2CCC3(CCCN(CC4CC4)C3=O)C2)cc1=O
InChIInChI=1S/C20H27N3O3/c1-2-21-10-6-16(12-17(21)24)18(25)23-11-8-20(14-23)7-3-9-22(19(20)26)13-15-4-5-15/h6,10,12,15H,2-5,7-9,11,13-14H2,1H3
InChIKeyMHBXEVCXPHNABG-UHFFFAOYSA-N
MW357.45 g/mol
LogP1.73
Rot. Bonds4

About 7-(cyclopropylmethyl)-2-(1-ethyl-2-oxopyridine-4-carbonyl)-2,7-diazaspiro[4.5]decan-6-one

7-(cyclopropylmethyl)-2-(1-ethyl-2-oxopyridine-4-carbonyl)-2,7-diazaspiro[4.5]decan-6-one (PubChem CID 72902847) has the molecular formula C20H27N3O3 and a molecular weight of 357.45 g/mol. Its IUPAC name is 7-(cyclopropylmethyl)-2-(1-ethyl-2-oxopyridine-4-carbonyl)-2,7-diazaspiro[4.5]decan-6-one.

Molecular Properties

Compound Name7-(cyclopropylmethyl)-2-(1-ethyl-2-oxopyridine-4-carbonyl)-2,7-diazaspiro[4.5]decan-6-one
PubChem CID72902847
Molecular FormulaC20H27N3O3
Molecular Weight357.45 g/mol
Exact Mass357.21
IUPAC Name7-(cyclopropylmethyl)-2-(1-ethyl-2-oxopyridine-4-carbonyl)-2,7-diazaspiro[4.5]decan-6-one
SMILESCCn1ccc(C(=O)N2CCC3(CCCN(CC4CC4)C3=O)C2)cc1=O
InChIInChI=1S/C20H27N3O3/c1-2-21-10-6-16(12-17(21)24)18(25)23-11-8-20(14-23)7-3-9-22(19(20)26)13-15-4-5-15/h6,10,12,15H,2-5,7-9,11,13-14H2,1H3
InChIKeyMHBXEVCXPHNABG-UHFFFAOYSA-N
XLogP1.73
TPSA62.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.45
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 7-(cyclopropylmethyl)-2-(1-ethyl-2-oxopyridine-4-carbonyl)-2,7-diazaspiro[4.5]decan-6-one with MolForge

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Related Compounds

(5R)-2-(3-acetylbenzoyl)-7-(cyclopropylmethyl)-2,7-diazaspiro[4.5]decan-6-one
CID 97148069
(5S)-7-(cyclopropylmethyl)-2-(3-methoxybenzoyl)-2,7-diazaspiro[4.5]decan-6-one
CID 26405234
(5R)-7-(cyclobutylmethyl)-2-(1-methyl-6-oxopyridine-3-carbonyl)-2,7-diazaspiro[4.5]decan-6-one
CID 97122026
(5S)-7-(cyclopropylmethyl)-2-(6-oxo-1H-pyridine-3-carbonyl)-2,7-diazaspiro[4.5]decan-6-one
CID 97125382
(5S)-2-(1,3-benzodioxole-5-carbonyl)-7-(cyclobutylmethyl)-2,7-diazaspiro[4.5]decan-6-one
CID 42113655
(5R)-7-(cyclopropylmethyl)-2-(2-methoxybenzoyl)-2,7-diazaspiro[4.5]decan-6-one
CID 25311849
7-(2-methoxyethyl)-2-(1-methyl-2-oxopyridine-4-carbonyl)-2,7-diazaspiro[4.5]decan-6-one
CID 72921168
7-(cyclopropylmethyl)-2-[4-(tetrazol-1-ylmethyl)benzoyl]-2,7-diazaspiro[4.5]decan-6-one
CID 72919228
7-(cyclohexylmethyl)-2-(pyridine-3-carbonyl)-2,7-diazaspiro[4.5]decan-6-one
CID 45220503
(5R)-7-(cyclopropylmethyl)-2-[3-(2-oxo-1-pyridinyl)propanoyl]-2,7-diazaspiro[4.5]decan-6-one
CID 97131680
(5R)-7-(cyclopropylmethyl)-2-(2-propoxybenzoyl)-2,7-diazaspiro[4.5]decan-6-one
CID 97129129
(5S)-2-(5-chloro-2-methoxybenzoyl)-7-(cyclopropylmethyl)-2,7-diazaspiro[4.5]decan-6-one
CID 97140685

Frequently Asked Questions

What is the IUPAC name of 7-(cyclopropylmethyl)-2-(1-ethyl-2-oxopyridine-4-carbonyl)-2,7-diazaspiro[4.5]decan-6-one?
The IUPAC name of 7-(cyclopropylmethyl)-2-(1-ethyl-2-oxopyridine-4-carbonyl)-2,7-diazaspiro[4.5]decan-6-one (CID 72902847) is 7-(cyclopropylmethyl)-2-(1-ethyl-2-oxopyridine-4-carbonyl)-2,7-diazaspiro[4.5]decan-6-one.
What is the SMILES notation for 7-(cyclopropylmethyl)-2-(1-ethyl-2-oxopyridine-4-carbonyl)-2,7-diazaspiro[4.5]decan-6-one?
The canonical SMILES for 7-(cyclopropylmethyl)-2-(1-ethyl-2-oxopyridine-4-carbonyl)-2,7-diazaspiro[4.5]decan-6-one is CCn1ccc(C(=O)N2CCC3(CCCN(CC4CC4)C3=O)C2)cc1=O.
What is the InChIKey of 7-(cyclopropylmethyl)-2-(1-ethyl-2-oxopyridine-4-carbonyl)-2,7-diazaspiro[4.5]decan-6-one?
The InChIKey is MHBXEVCXPHNABG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O3/c1-2-21-10-6-16(12-17(21)24)18(25)23-11-8-20(14-23)7-3-9-22(19(20)26)13-15-4-5-15/h6,10,12,15H,2-5,7-9,11,13-14H2,1H3.
What are the key properties of 7-(cyclopropylmethyl)-2-(1-ethyl-2-oxopyridine-4-carbonyl)-2,7-diazaspiro[4.5]decan-6-one?
7-(cyclopropylmethyl)-2-(1-ethyl-2-oxopyridine-4-carbonyl)-2,7-diazaspiro[4.5]decan-6-one has a molecular weight of 357.45 g/mol, XLogP of 1.73, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(cyclopropylmethyl)-2-(1-ethyl-2-oxopyridine-4-carbonyl)-2,7-diazaspiro[4.5]decan-6-one is sourced from PubChem (CID 72902847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).