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

C19H29N3O — CID 97472843

IUPAC2-[2-(dimethylamino)ethyl]-7-[(4-methylphenyl)methyl]-2,7-diazaspiro[3.5]nonan-3-one
SMILESCc1ccc(CN2CCC3(CC2)CN(CCN(C)C)C3=O)cc1
InChIInChI=1S/C19H29N3O/c1-16-4-6-17(7-5-16)14-21-10-8-19(9-11-21)15-22(18(19)23)13-12-20(2)3/h4-7H,8-15H2,1-3H3
InChIKeyXVUCNOLHWUMAGT-UHFFFAOYSA-N
MW315.46 g/mol
LogP1.98
Rot. Bonds5

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

2-[2-(dimethylamino)ethyl]-7-[(4-methylphenyl)methyl]-2,7-diazaspiro[3.5]nonan-3-one (PubChem CID 97472843) has the molecular formula C19H29N3O and a molecular weight of 315.46 g/mol. Its IUPAC name is 2-[2-(dimethylamino)ethyl]-7-[(4-methylphenyl)methyl]-2,7-diazaspiro[3.5]nonan-3-one.

Molecular Properties

Compound Name2-[2-(dimethylamino)ethyl]-7-[(4-methylphenyl)methyl]-2,7-diazaspiro[3.5]nonan-3-one
PubChem CID97472843
Molecular FormulaC19H29N3O
Molecular Weight315.46 g/mol
Exact Mass315.23
IUPAC Name2-[2-(dimethylamino)ethyl]-7-[(4-methylphenyl)methyl]-2,7-diazaspiro[3.5]nonan-3-one
SMILESCc1ccc(CN2CCC3(CC2)CN(CCN(C)C)C3=O)cc1
InChIInChI=1S/C19H29N3O/c1-16-4-6-17(7-5-16)14-21-10-8-19(9-11-21)15-22(18(19)23)13-12-20(2)3/h4-7H,8-15H2,1-3H3
InChIKeyXVUCNOLHWUMAGT-UHFFFAOYSA-N
XLogP1.98
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.46
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(dimethylamino)ethyl]-8-[(3,5-dimethylphenyl)methyl]-2,8-diazaspiro[4.5]decan-1-one
CID 97449717
2-[2-(dimethylamino)ethyl]-7-(4-methylbenzoyl)-2,7-diazaspiro[3.5]nonan-3-one
CID 97392951
2-[2-(dimethylamino)ethyl]-8-[(5-methylfuran-2-yl)methyl]-2,8-diazaspiro[4.5]decan-1-one
CID 97370180
2-[2-(dimethylamino)ethyl]-8-[(3,5-dimethylphenyl)methyl]-2,8-diazaspiro[4.5]decan-1-one;bis(2,2,2-trifluoroacetic acid)
CID 155853444
2-[2-(dimethylamino)ethyl]-8-[(1-methylimidazol-2-yl)methyl]-2,8-diazaspiro[4.5]decan-1-one
CID 97362471
(5R)-7-[(4-methoxyphenyl)methyl]-2-[(3-methylphenyl)methyl]-2,7-diazaspiro[4.4]nonan-1-one
CID 97373838
3-[2-(4-ethylpiperazin-1-yl)ethyl]-8-[(4-methylphenyl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 70746992
3-[(4-fluorophenyl)methyl]-9-[(4-methylphenyl)methyl]-3,9-diazaspiro[5.5]undecane
CID 97370656
2-[4-[(4-iodophenyl)methyl]piperazin-1-yl]-N,N-dimethylethanamine
CID 65490706
8-benzyl-2-methyl-2,8-diazaspiro[4.5]decane-1,3-dione;dihydrochloride
CID 121005441
3-[2-(dimethylamino)ethyl]-8-[(3-hydroxy-4-methoxyphenyl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 70720095
2-(3-methoxypropyl)-9-[(4-methylphenyl)methyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 70778884

Frequently Asked Questions

What is the IUPAC name of 2-[2-(dimethylamino)ethyl]-7-[(4-methylphenyl)methyl]-2,7-diazaspiro[3.5]nonan-3-one?
The IUPAC name of 2-[2-(dimethylamino)ethyl]-7-[(4-methylphenyl)methyl]-2,7-diazaspiro[3.5]nonan-3-one (CID 97472843) is 2-[2-(dimethylamino)ethyl]-7-[(4-methylphenyl)methyl]-2,7-diazaspiro[3.5]nonan-3-one.
What is the SMILES notation for 2-[2-(dimethylamino)ethyl]-7-[(4-methylphenyl)methyl]-2,7-diazaspiro[3.5]nonan-3-one?
The canonical SMILES for 2-[2-(dimethylamino)ethyl]-7-[(4-methylphenyl)methyl]-2,7-diazaspiro[3.5]nonan-3-one is Cc1ccc(CN2CCC3(CC2)CN(CCN(C)C)C3=O)cc1.
What is the InChIKey of 2-[2-(dimethylamino)ethyl]-7-[(4-methylphenyl)methyl]-2,7-diazaspiro[3.5]nonan-3-one?
The InChIKey is XVUCNOLHWUMAGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O/c1-16-4-6-17(7-5-16)14-21-10-8-19(9-11-21)15-22(18(19)23)13-12-20(2)3/h4-7H,8-15H2,1-3H3.
What are the key properties of 2-[2-(dimethylamino)ethyl]-7-[(4-methylphenyl)methyl]-2,7-diazaspiro[3.5]nonan-3-one?
2-[2-(dimethylamino)ethyl]-7-[(4-methylphenyl)methyl]-2,7-diazaspiro[3.5]nonan-3-one has a molecular weight of 315.46 g/mol, XLogP of 1.98, 5 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-methylphenyl)methyl]-2,7-diazaspiro[3.5]nonan-3-one is sourced from PubChem (CID 97472843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).