3-[1-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-1-oxopropan-2-yl]-1,3-diazaspiro[4.4]nonane-2,4-dione

C17H28N4O3 — CID 71872147

IUPAC3-[1-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-1-oxopropan-2-yl]-1,3-diazaspiro[4.4]nonane-2,4-dione
SMILESCC1CN(C(=O)C(C)N2C(=O)NC3(CCCC3)C2=O)CC1N(C)C
InChIInChI=1S/C17H28N4O3/c1-11-9-20(10-13(11)19(3)4)14(22)12(2)21-15(23)17(18-16(21)24)7-5-6-8-17/h11-13H,5-10H2,1-4H3,(H,18,24)
InChIKeyCRLRGWQRDOEGAP-UHFFFAOYSA-N
MW336.44 g/mol
LogP0.65
Rot. Bonds3

About 3-[1-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-1-oxopropan-2-yl]-1,3-diazaspiro[4.4]nonane-2,4-dione

3-[1-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-1-oxopropan-2-yl]-1,3-diazaspiro[4.4]nonane-2,4-dione (PubChem CID 71872147) has the molecular formula C17H28N4O3 and a molecular weight of 336.44 g/mol. Its IUPAC name is 3-[1-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-1-oxopropan-2-yl]-1,3-diazaspiro[4.4]nonane-2,4-dione.

Molecular Properties

Compound Name3-[1-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-1-oxopropan-2-yl]-1,3-diazaspiro[4.4]nonane-2,4-dione
PubChem CID71872147
Molecular FormulaC17H28N4O3
Molecular Weight336.44 g/mol
Exact Mass336.22
IUPAC Name3-[1-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-1-oxopropan-2-yl]-1,3-diazaspiro[4.4]nonane-2,4-dione
SMILESCC1CN(C(=O)C(C)N2C(=O)NC3(CCCC3)C2=O)CC1N(C)C
InChIInChI=1S/C17H28N4O3/c1-11-9-20(10-13(11)19(3)4)14(22)12(2)21-15(23)17(18-16(21)24)7-5-6-8-17/h11-13H,5-10H2,1-4H3,(H,18,24)
InChIKeyCRLRGWQRDOEGAP-UHFFFAOYSA-N
XLogP0.65
TPSA72.96 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[1-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-1-oxopropan-2-yl]-1,3-diazaspiro[4.4]nonane-2,4-dione?
The IUPAC name of 3-[1-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-1-oxopropan-2-yl]-1,3-diazaspiro[4.4]nonane-2,4-dione (CID 71872147) is 3-[1-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-1-oxopropan-2-yl]-1,3-diazaspiro[4.4]nonane-2,4-dione.
What is the SMILES notation for 3-[1-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-1-oxopropan-2-yl]-1,3-diazaspiro[4.4]nonane-2,4-dione?
The canonical SMILES for 3-[1-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-1-oxopropan-2-yl]-1,3-diazaspiro[4.4]nonane-2,4-dione is CC1CN(C(=O)C(C)N2C(=O)NC3(CCCC3)C2=O)CC1N(C)C.
What is the InChIKey of 3-[1-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-1-oxopropan-2-yl]-1,3-diazaspiro[4.4]nonane-2,4-dione?
The InChIKey is CRLRGWQRDOEGAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4O3/c1-11-9-20(10-13(11)19(3)4)14(22)12(2)21-15(23)17(18-16(21)24)7-5-6-8-17/h11-13H,5-10H2,1-4H3,(H,18,24).
What are the key properties of 3-[1-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-1-oxopropan-2-yl]-1,3-diazaspiro[4.4]nonane-2,4-dione?
3-[1-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-1-oxopropan-2-yl]-1,3-diazaspiro[4.4]nonane-2,4-dione has a molecular weight of 336.44 g/mol, XLogP of 0.65, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-1-oxopropan-2-yl]-1,3-diazaspiro[4.4]nonane-2,4-dione is sourced from PubChem (CID 71872147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).