2-(cyclopropylmethyl)-8-[3-(2-methyl-6-oxo-1-pyridinyl)propanoyl]-2,8-diazaspiro[5.5]undecan-3-one

C22H31N3O3 — CID 72938926

IUPAC2-(cyclopropylmethyl)-8-[3-(2-methyl-6-oxo-1-pyridinyl)propanoyl]-2,8-diazaspiro[5.5]undecan-3-one
SMILESCc1cccc(=O)n1CCC(=O)N1CCCC2(CCC(=O)N(CC3CC3)C2)C1
InChIInChI=1S/C22H31N3O3/c1-17-4-2-5-21(28)25(17)13-9-20(27)23-12-3-10-22(15-23)11-8-19(26)24(16-22)14-18-6-7-18/h2,4-5,18H,3,6-16H2,1H3
InChIKeyLXTMRSXTUDLJCP-UHFFFAOYSA-N
MW385.51 g/mol
LogP2.19
Rot. Bonds5

About 2-(cyclopropylmethyl)-8-[3-(2-methyl-6-oxo-1-pyridinyl)propanoyl]-2,8-diazaspiro[5.5]undecan-3-one

2-(cyclopropylmethyl)-8-[3-(2-methyl-6-oxo-1-pyridinyl)propanoyl]-2,8-diazaspiro[5.5]undecan-3-one (PubChem CID 72938926) has the molecular formula C22H31N3O3 and a molecular weight of 385.51 g/mol. Its IUPAC name is 2-(cyclopropylmethyl)-8-[3-(2-methyl-6-oxo-1-pyridinyl)propanoyl]-2,8-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name2-(cyclopropylmethyl)-8-[3-(2-methyl-6-oxo-1-pyridinyl)propanoyl]-2,8-diazaspiro[5.5]undecan-3-one
PubChem CID72938926
Molecular FormulaC22H31N3O3
Molecular Weight385.51 g/mol
Exact Mass385.24
IUPAC Name2-(cyclopropylmethyl)-8-[3-(2-methyl-6-oxo-1-pyridinyl)propanoyl]-2,8-diazaspiro[5.5]undecan-3-one
SMILESCc1cccc(=O)n1CCC(=O)N1CCCC2(CCC(=O)N(CC3CC3)C2)C1
InChIInChI=1S/C22H31N3O3/c1-17-4-2-5-21(28)25(17)13-9-20(27)23-12-3-10-22(15-23)11-8-19(26)24(16-22)14-18-6-7-18/h2,4-5,18H,3,6-16H2,1H3
InChIKeyLXTMRSXTUDLJCP-UHFFFAOYSA-N
XLogP2.19
TPSA62.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.51
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(cyclopropylmethyl)-8-(2-hydroxyacetyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 72916173
2-(cyclopropylmethyl)-8-[2-(2-hydroxyphenyl)acetyl]-2,8-diazaspiro[5.5]undecan-3-one
CID 70777892
(6R)-2-(cyclopropylmethyl)-8-[2-[4-(dimethylamino)phenyl]acetyl]-2,8-diazaspiro[5.5]undecan-3-one
CID 97156784
(6R)-2-(cyclopropylmethyl)-N-[(4-methylphenyl)methyl]-3-oxo-2,8-diazaspiro[5.5]undecane-8-carboxamide
CID 97132229
(6R)-2-(cyclopropylmethyl)-N-[(4-methoxyphenyl)methyl]-3-oxo-2,8-diazaspiro[5.5]undecane-8-carboxamide
CID 97204156
8-[3-(benzotriazol-1-yl)propanoyl]-2-ethyl-2,8-diazaspiro[5.5]undecan-3-one
CID 70744817
(6R)-8-(2-cyclopentylacetyl)-2-(2-methoxyethyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 97153831
6-methyl-1-[3-oxo-3-[2-[2-(2-oxopyrrolidin-1-yl)ethyl]piperidin-1-yl]propyl]pyridin-2-one
CID 72841430
2-(cyclopropylmethyl)-8-(3-fluoroimidazo[1,2-a]pyridine-2-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 72936923
8-[3-(4-chloropyrazol-1-yl)propanoyl]-2-ethyl-2,8-diazaspiro[5.5]undecan-3-one
CID 70764812
4-[(6R)-2-benzyl-3-oxo-2,8-diazaspiro[5.5]undecan-8-yl]-N-methyl-4-oxobutanamide
CID 95873204
2-(cyclopropylmethyl)-9-(2-methoxy-6-methylbenzoyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 72854155

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylmethyl)-8-[3-(2-methyl-6-oxo-1-pyridinyl)propanoyl]-2,8-diazaspiro[5.5]undecan-3-one?
The IUPAC name of 2-(cyclopropylmethyl)-8-[3-(2-methyl-6-oxo-1-pyridinyl)propanoyl]-2,8-diazaspiro[5.5]undecan-3-one (CID 72938926) is 2-(cyclopropylmethyl)-8-[3-(2-methyl-6-oxo-1-pyridinyl)propanoyl]-2,8-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for 2-(cyclopropylmethyl)-8-[3-(2-methyl-6-oxo-1-pyridinyl)propanoyl]-2,8-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for 2-(cyclopropylmethyl)-8-[3-(2-methyl-6-oxo-1-pyridinyl)propanoyl]-2,8-diazaspiro[5.5]undecan-3-one is Cc1cccc(=O)n1CCC(=O)N1CCCC2(CCC(=O)N(CC3CC3)C2)C1.
What is the InChIKey of 2-(cyclopropylmethyl)-8-[3-(2-methyl-6-oxo-1-pyridinyl)propanoyl]-2,8-diazaspiro[5.5]undecan-3-one?
The InChIKey is LXTMRSXTUDLJCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N3O3/c1-17-4-2-5-21(28)25(17)13-9-20(27)23-12-3-10-22(15-23)11-8-19(26)24(16-22)14-18-6-7-18/h2,4-5,18H,3,6-16H2,1H3.
What are the key properties of 2-(cyclopropylmethyl)-8-[3-(2-methyl-6-oxo-1-pyridinyl)propanoyl]-2,8-diazaspiro[5.5]undecan-3-one?
2-(cyclopropylmethyl)-8-[3-(2-methyl-6-oxo-1-pyridinyl)propanoyl]-2,8-diazaspiro[5.5]undecan-3-one has a molecular weight of 385.51 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 2-(cyclopropylmethyl)-8-[3-(2-methyl-6-oxo-1-pyridinyl)propanoyl]-2,8-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 72938926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).