3-[3-[3-(dimethylamino)pyrrolidin-1-yl]propyl]-8-(2-methylpyrimidin-4-yl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one

C21H34N6O2 — CID 70711051

IUPAC3-[3-[3-(dimethylamino)pyrrolidin-1-yl]propyl]-8-(2-methylpyrimidin-4-yl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
SMILESCc1nccc(N2CCC3(CC2)CN(CCCN2CCC(N(C)C)C2)C(=O)O3)n1
InChIInChI=1S/C21H34N6O2/c1-17-22-9-5-19(23-17)26-13-7-21(8-14-26)16-27(20(28)29-21)11-4-10-25-12-6-18(15-25)24(2)3/h5,9,18H,4,6-8,10-16H2,1-3H3
InChIKeyNXJOUXVZVAMNRI-UHFFFAOYSA-N
MW402.54 g/mol
LogP1.60
Rot. Bonds6

About 3-[3-[3-(dimethylamino)pyrrolidin-1-yl]propyl]-8-(2-methylpyrimidin-4-yl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one

3-[3-[3-(dimethylamino)pyrrolidin-1-yl]propyl]-8-(2-methylpyrimidin-4-yl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one (PubChem CID 70711051) has the molecular formula C21H34N6O2 and a molecular weight of 402.54 g/mol. Its IUPAC name is 3-[3-[3-(dimethylamino)pyrrolidin-1-yl]propyl]-8-(2-methylpyrimidin-4-yl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name3-[3-[3-(dimethylamino)pyrrolidin-1-yl]propyl]-8-(2-methylpyrimidin-4-yl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
PubChem CID70711051
Molecular FormulaC21H34N6O2
Molecular Weight402.54 g/mol
Exact Mass402.27
IUPAC Name3-[3-[3-(dimethylamino)pyrrolidin-1-yl]propyl]-8-(2-methylpyrimidin-4-yl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
SMILESCc1nccc(N2CCC3(CC2)CN(CCCN2CCC(N(C)C)C2)C(=O)O3)n1
InChIInChI=1S/C21H34N6O2/c1-17-22-9-5-19(23-17)26-13-7-21(8-14-26)16-27(20(28)29-21)11-4-10-25-12-6-18(15-25)24(2)3/h5,9,18H,4,6-8,10-16H2,1-3H3
InChIKeyNXJOUXVZVAMNRI-UHFFFAOYSA-N
XLogP1.60
TPSA65.04 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.54
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 3-[3-[3-(dimethylamino)pyrrolidin-1-yl]propyl]-8-(2-methylpyrimidin-4-yl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[3-[3-(dimethylamino)pyrrolidin-1-yl]propyl]-8-(2-methylpyrimidin-4-yl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The IUPAC name of 3-[3-[3-(dimethylamino)pyrrolidin-1-yl]propyl]-8-(2-methylpyrimidin-4-yl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one (CID 70711051) is 3-[3-[3-(dimethylamino)pyrrolidin-1-yl]propyl]-8-(2-methylpyrimidin-4-yl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for 3-[3-[3-(dimethylamino)pyrrolidin-1-yl]propyl]-8-(2-methylpyrimidin-4-yl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The canonical SMILES for 3-[3-[3-(dimethylamino)pyrrolidin-1-yl]propyl]-8-(2-methylpyrimidin-4-yl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one is Cc1nccc(N2CCC3(CC2)CN(CCCN2CCC(N(C)C)C2)C(=O)O3)n1.
What is the InChIKey of 3-[3-[3-(dimethylamino)pyrrolidin-1-yl]propyl]-8-(2-methylpyrimidin-4-yl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The InChIKey is NXJOUXVZVAMNRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H34N6O2/c1-17-22-9-5-19(23-17)26-13-7-21(8-14-26)16-27(20(28)29-21)11-4-10-25-12-6-18(15-25)24(2)3/h5,9,18H,4,6-8,10-16H2,1-3H3.
What are the key properties of 3-[3-[3-(dimethylamino)pyrrolidin-1-yl]propyl]-8-(2-methylpyrimidin-4-yl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
3-[3-[3-(dimethylamino)pyrrolidin-1-yl]propyl]-8-(2-methylpyrimidin-4-yl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one has a molecular weight of 402.54 g/mol, XLogP of 1.60, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[3-(dimethylamino)pyrrolidin-1-yl]propyl]-8-(2-methylpyrimidin-4-yl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 70711051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).