2-(cyclobutylmethyl)-9-(6-methylpyridine-2-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one

C21H29N3O2 — CID 98897031

IUPAC2-(cyclobutylmethyl)-9-(6-methylpyridine-2-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one
SMILESCc1cccc(C(=O)N2CCC3(CCC(=O)N(CC4CCC4)C3)CC2)n1
InChIInChI=1S/C21H29N3O2/c1-16-4-2-7-18(22-16)20(26)23-12-10-21(11-13-23)9-8-19(25)24(15-21)14-17-5-3-6-17/h2,4,7,17H,3,5-6,8-15H2,1H3
InChIKeyGNOADSJUKFEEMD-UHFFFAOYSA-N
MW355.48 g/mol
LogP3.03
Rot. Bonds3

About 2-(cyclobutylmethyl)-9-(6-methylpyridine-2-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one

2-(cyclobutylmethyl)-9-(6-methylpyridine-2-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one (PubChem CID 98897031) has the molecular formula C21H29N3O2 and a molecular weight of 355.48 g/mol. Its IUPAC name is 2-(cyclobutylmethyl)-9-(6-methylpyridine-2-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name2-(cyclobutylmethyl)-9-(6-methylpyridine-2-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one
PubChem CID98897031
Molecular FormulaC21H29N3O2
Molecular Weight355.48 g/mol
Exact Mass355.23
IUPAC Name2-(cyclobutylmethyl)-9-(6-methylpyridine-2-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one
SMILESCc1cccc(C(=O)N2CCC3(CCC(=O)N(CC4CCC4)C3)CC2)n1
InChIInChI=1S/C21H29N3O2/c1-16-4-2-7-18(22-16)20(26)23-12-10-21(11-13-23)9-8-19(25)24(15-21)14-17-5-3-6-17/h2,4,7,17H,3,5-6,8-15H2,1H3
InChIKeyGNOADSJUKFEEMD-UHFFFAOYSA-N
XLogP3.03
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.48
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

9-benzoyl-2-(cyclobutylmethyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 131680583
(5R)-7-(cyclohexylmethyl)-2-(6-methylpyridine-2-carbonyl)-2,7-diazaspiro[4.5]decan-6-one
CID 26331163
2-(cyclopropylmethyl)-9-(2-methoxy-6-methylbenzoyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 72854155
2-(cyclopropylmethyl)-9-(4-hydroxybenzoyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 72878667
9-(5-methylpyridine-2-carbonyl)-2-[[(2R)-oxolan-2-yl]methyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 97121852
2-(cyclopropylmethyl)-9-[2-(dimethylamino)benzoyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 72894680
2-(cyclopropylmethyl)-9-(4-methylpyrimidine-5-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 72859362
2-(cyclopropylmethyl)-9-(1-methylimidazole-2-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 124816533
2-[(4S)-1-(6-methylpyridine-2-carbonyl)azepan-4-yl]acetic acid
CID 129488825
1-(6-methylpyridine-2-carbonyl)piperidin-4-one
CID 24708249
2-(cyclopropylmethyl)-9-(4-prop-2-enylbenzoyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 72870679
[3-(hydroxymethyl)piperidin-1-yl]-(6-methyl-2-pyridinyl)methanone
CID 43422119

Frequently Asked Questions

What is the IUPAC name of 2-(cyclobutylmethyl)-9-(6-methylpyridine-2-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one?
The IUPAC name of 2-(cyclobutylmethyl)-9-(6-methylpyridine-2-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one (CID 98897031) is 2-(cyclobutylmethyl)-9-(6-methylpyridine-2-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for 2-(cyclobutylmethyl)-9-(6-methylpyridine-2-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for 2-(cyclobutylmethyl)-9-(6-methylpyridine-2-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one is Cc1cccc(C(=O)N2CCC3(CCC(=O)N(CC4CCC4)C3)CC2)n1.
What is the InChIKey of 2-(cyclobutylmethyl)-9-(6-methylpyridine-2-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one?
The InChIKey is GNOADSJUKFEEMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3O2/c1-16-4-2-7-18(22-16)20(26)23-12-10-21(11-13-23)9-8-19(25)24(15-21)14-17-5-3-6-17/h2,4,7,17H,3,5-6,8-15H2,1H3.
What are the key properties of 2-(cyclobutylmethyl)-9-(6-methylpyridine-2-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one?
2-(cyclobutylmethyl)-9-(6-methylpyridine-2-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one has a molecular weight of 355.48 g/mol, XLogP of 3.03, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclobutylmethyl)-9-(6-methylpyridine-2-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 98897031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).