2-[2-(dimethylamino)ethyl]-7-(4-methylbenzoyl)-2,7-diazaspiro[3.5]nonan-3-one

C19H27N3O2 — CID 97392951

IUPAC2-[2-(dimethylamino)ethyl]-7-(4-methylbenzoyl)-2,7-diazaspiro[3.5]nonan-3-one
SMILESCc1ccc(C(=O)N2CCC3(CC2)CN(CCN(C)C)C3=O)cc1
InChIInChI=1S/C19H27N3O2/c1-15-4-6-16(7-5-15)17(23)21-10-8-19(9-11-21)14-22(18(19)24)13-12-20(2)3/h4-7H,8-14H2,1-3H3
InChIKeyYYHNZISPINTLEC-UHFFFAOYSA-N
MW329.44 g/mol
LogP1.62
Rot. Bonds4

About 2-[2-(dimethylamino)ethyl]-7-(4-methylbenzoyl)-2,7-diazaspiro[3.5]nonan-3-one

2-[2-(dimethylamino)ethyl]-7-(4-methylbenzoyl)-2,7-diazaspiro[3.5]nonan-3-one (PubChem CID 97392951) has the molecular formula C19H27N3O2 and a molecular weight of 329.44 g/mol. Its IUPAC name is 2-[2-(dimethylamino)ethyl]-7-(4-methylbenzoyl)-2,7-diazaspiro[3.5]nonan-3-one.

Molecular Properties

Compound Name2-[2-(dimethylamino)ethyl]-7-(4-methylbenzoyl)-2,7-diazaspiro[3.5]nonan-3-one
PubChem CID97392951
Molecular FormulaC19H27N3O2
Molecular Weight329.44 g/mol
Exact Mass329.21
IUPAC Name2-[2-(dimethylamino)ethyl]-7-(4-methylbenzoyl)-2,7-diazaspiro[3.5]nonan-3-one
SMILESCc1ccc(C(=O)N2CCC3(CC2)CN(CCN(C)C)C3=O)cc1
InChIInChI=1S/C19H27N3O2/c1-15-4-6-16(7-5-15)17(23)21-10-8-19(9-11-21)14-22(18(19)24)13-12-20(2)3/h4-7H,8-14H2,1-3H3
InChIKeyYYHNZISPINTLEC-UHFFFAOYSA-N
XLogP1.62
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.44
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(dimethylamino)ethyl]-7-[(4-methylphenyl)methyl]-2,7-diazaspiro[3.5]nonan-3-one
CID 97472843
3-[2-(2-methoxyethyl)-3-oxo-2,7-diazaspiro[3.5]nonane-7-carbonyl]benzonitrile
CID 97472861
2-[2-(dimethylamino)ethyl]-9-(2-methyl-1,3-thiazole-4-carbonyl)-2,9-diazaspiro[4.5]decan-1-one
CID 131681877
7-(2-methylquinoline-6-carbonyl)-2-(2-phenylethyl)-2,7-diazaspiro[4.4]nonan-1-one
CID 175646411
9-[3-(dimethylamino)benzoyl]-2-[2-(dimethylamino)ethyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 72869234
(5R)-3-[2-(dimethylamino)ethyl]-5-[1-(4-methylbenzoyl)piperidin-4-yl]-5-(2-phenylethyl)imidazolidine-2,4-dione
CID 26281178
(4-methylphenyl)-pyrrolidin-1-ylmethanone;propane
CID 143994279
[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-(4-sulfanylphenyl)methanone
CID 107028812
1,8-diazaspiro[4.5]decan-8-yl-(4-methylphenyl)methanone
CID 121451700
8-(4-methylbenzoyl)-1,3-bis(2-methylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 166621081
2-(2-methoxyethyl)-7-[4-(4-methoxyphenoxy)benzoyl]-2,7-diazaspiro[4.4]nonan-1-one
CID 175643015
7-[4-(azepan-1-ylmethyl)benzoyl]-2-propyl-2,7-diazaspiro[4.4]nonan-1-one
CID 176500159

Frequently Asked Questions

What is the IUPAC name of 2-[2-(dimethylamino)ethyl]-7-(4-methylbenzoyl)-2,7-diazaspiro[3.5]nonan-3-one?
The IUPAC name of 2-[2-(dimethylamino)ethyl]-7-(4-methylbenzoyl)-2,7-diazaspiro[3.5]nonan-3-one (CID 97392951) is 2-[2-(dimethylamino)ethyl]-7-(4-methylbenzoyl)-2,7-diazaspiro[3.5]nonan-3-one.
What is the SMILES notation for 2-[2-(dimethylamino)ethyl]-7-(4-methylbenzoyl)-2,7-diazaspiro[3.5]nonan-3-one?
The canonical SMILES for 2-[2-(dimethylamino)ethyl]-7-(4-methylbenzoyl)-2,7-diazaspiro[3.5]nonan-3-one is Cc1ccc(C(=O)N2CCC3(CC2)CN(CCN(C)C)C3=O)cc1.
What is the InChIKey of 2-[2-(dimethylamino)ethyl]-7-(4-methylbenzoyl)-2,7-diazaspiro[3.5]nonan-3-one?
The InChIKey is YYHNZISPINTLEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O2/c1-15-4-6-16(7-5-15)17(23)21-10-8-19(9-11-21)14-22(18(19)24)13-12-20(2)3/h4-7H,8-14H2,1-3H3.
What are the key properties of 2-[2-(dimethylamino)ethyl]-7-(4-methylbenzoyl)-2,7-diazaspiro[3.5]nonan-3-one?
2-[2-(dimethylamino)ethyl]-7-(4-methylbenzoyl)-2,7-diazaspiro[3.5]nonan-3-one has a molecular weight of 329.44 g/mol, XLogP of 1.62, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(dimethylamino)ethyl]-7-(4-methylbenzoyl)-2,7-diazaspiro[3.5]nonan-3-one is sourced from PubChem (CID 97392951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).