1-[3-(4-amino-3,3-dimethylpiperidin-1-yl)-3-oxopropyl]pyrrolidine-2,5-dione

C14H23N3O3 — CID 120817801

IUPAC1-[3-(4-amino-3,3-dimethylpiperidin-1-yl)-3-oxopropyl]pyrrolidine-2,5-dione
SMILESCC1(C)CN(C(=O)CCN2C(=O)CCC2=O)CCC1N
InChIInChI=1S/C14H23N3O3/c1-14(2)9-16(7-5-10(14)15)11(18)6-8-17-12(19)3-4-13(17)20/h10H,3-9,15H2,1-2H3
InChIKeyDLBCTUYFGJTUSM-UHFFFAOYSA-N
MW281.36 g/mol
LogP0.11
Rot. Bonds3

About 1-[3-(4-amino-3,3-dimethylpiperidin-1-yl)-3-oxopropyl]pyrrolidine-2,5-dione

1-[3-(4-amino-3,3-dimethylpiperidin-1-yl)-3-oxopropyl]pyrrolidine-2,5-dione (PubChem CID 120817801) has the molecular formula C14H23N3O3 and a molecular weight of 281.36 g/mol. Its IUPAC name is 1-[3-(4-amino-3,3-dimethylpiperidin-1-yl)-3-oxopropyl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-[3-(4-amino-3,3-dimethylpiperidin-1-yl)-3-oxopropyl]pyrrolidine-2,5-dione
PubChem CID120817801
Molecular FormulaC14H23N3O3
Molecular Weight281.36 g/mol
Exact Mass281.17
IUPAC Name1-[3-(4-amino-3,3-dimethylpiperidin-1-yl)-3-oxopropyl]pyrrolidine-2,5-dione
SMILESCC1(C)CN(C(=O)CCN2C(=O)CCC2=O)CCC1N
InChIInChI=1S/C14H23N3O3/c1-14(2)9-16(7-5-10(14)15)11(18)6-8-17-12(19)3-4-13(17)20/h10H,3-9,15H2,1-2H3
InChIKeyDLBCTUYFGJTUSM-UHFFFAOYSA-N
XLogP0.11
TPSA83.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 50.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

2-Isopropyl-2,8-diazaspiro[4.5]decan-1-one
CID 45074064
2-Isopropyl-2,7-diazaspiro[4.5]decan-1-one
CID 45074134
2-Propyl-2,9-diazaspiro[4.5]decane-1,3-dione
CID 118741624
2-(Propan-2-yl)-2,8-diazaspiro[4.5]decan-1-one hydrochloride
CID 45074063
2-Isopropyl-2,7-diazaspiro[4.5]decan-1-one hydrochloride
CID 45074133
1-[1-[(2S)-2-amino-3,3-dimethylbutanoyl]piperidin-4-yl]pyrrolidin-2-one
CID 91645588
3-(2,5-dioxopyrrolidin-1-yl)-N-[(3S)-2,2,6-trimethylheptan-3-yl]propanamide
CID 95628431
2-Propyl-2,9-diazaspiro[4.5]decane-1,3-dione;hydrochloride
CID 118741623
1-(Piperidin-4-yl)pyrrolidine-2,5-dione
CID 12822552
2-Ethyl-9-methyl-2,8-diazaspiro[4,5]decane-1,3-dione
CID 129817549
N-(1-methylpiperidin-4-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 63708418
N-(1-ethylpiperidin-4-yl)-N-methyl-3-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 63708765

Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-amino-3,3-dimethylpiperidin-1-yl)-3-oxopropyl]pyrrolidine-2,5-dione?
The IUPAC name of 1-[3-(4-amino-3,3-dimethylpiperidin-1-yl)-3-oxopropyl]pyrrolidine-2,5-dione (CID 120817801) is 1-[3-(4-amino-3,3-dimethylpiperidin-1-yl)-3-oxopropyl]pyrrolidine-2,5-dione.
What is the SMILES notation for 1-[3-(4-amino-3,3-dimethylpiperidin-1-yl)-3-oxopropyl]pyrrolidine-2,5-dione?
The canonical SMILES for 1-[3-(4-amino-3,3-dimethylpiperidin-1-yl)-3-oxopropyl]pyrrolidine-2,5-dione is CC1(C)CN(C(=O)CCN2C(=O)CCC2=O)CCC1N.
What is the InChIKey of 1-[3-(4-amino-3,3-dimethylpiperidin-1-yl)-3-oxopropyl]pyrrolidine-2,5-dione?
The InChIKey is DLBCTUYFGJTUSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O3/c1-14(2)9-16(7-5-10(14)15)11(18)6-8-17-12(19)3-4-13(17)20/h10H,3-9,15H2,1-2H3.
What are the key properties of 1-[3-(4-amino-3,3-dimethylpiperidin-1-yl)-3-oxopropyl]pyrrolidine-2,5-dione?
1-[3-(4-amino-3,3-dimethylpiperidin-1-yl)-3-oxopropyl]pyrrolidine-2,5-dione has a molecular weight of 281.36 g/mol, XLogP of 0.11, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-amino-3,3-dimethylpiperidin-1-yl)-3-oxopropyl]pyrrolidine-2,5-dione is sourced from PubChem (CID 120817801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).