(6R)-4-(3,4-dihydro-2H-chromene-6-carbonyl)-1-methyl-1,4,10-triazaspiro[5.6]dodecan-9-one

C20H27N3O3 — CID 97119506

IUPAC(6R)-4-(3,4-dihydro-2H-chromene-6-carbonyl)-1-methyl-1,4,10-triazaspiro[5.6]dodecan-9-one
SMILESCN1CCN(C(=O)c2ccc3c(c2)CCCO3)C[C@@]12CCNC(=O)CC2
InChIInChI=1S/C20H27N3O3/c1-22-10-11-23(14-20(22)7-6-18(24)21-9-8-20)19(25)16-4-5-17-15(13-16)3-2-12-26-17/h4-5,13H,2-3,6-12,14H2,1H3,(H,21,24)/t20-/m1/s1
InChIKeyUEMDIRCBRQQRGB-HXUWFJFHSA-N
MW357.45 g/mol
LogP1.44
Rot. Bonds1

About (6R)-4-(3,4-dihydro-2H-chromene-6-carbonyl)-1-methyl-1,4,10-triazaspiro[5.6]dodecan-9-one

(6R)-4-(3,4-dihydro-2H-chromene-6-carbonyl)-1-methyl-1,4,10-triazaspiro[5.6]dodecan-9-one (PubChem CID 97119506) has the molecular formula C20H27N3O3 and a molecular weight of 357.45 g/mol. Its IUPAC name is (6R)-4-(3,4-dihydro-2H-chromene-6-carbonyl)-1-methyl-1,4,10-triazaspiro[5.6]dodecan-9-one.

Molecular Properties

Compound Name(6R)-4-(3,4-dihydro-2H-chromene-6-carbonyl)-1-methyl-1,4,10-triazaspiro[5.6]dodecan-9-one
PubChem CID97119506
Molecular FormulaC20H27N3O3
Molecular Weight357.45 g/mol
Exact Mass357.21
IUPAC Name(6R)-4-(3,4-dihydro-2H-chromene-6-carbonyl)-1-methyl-1,4,10-triazaspiro[5.6]dodecan-9-one
SMILESCN1CCN(C(=O)c2ccc3c(c2)CCCO3)C[C@@]12CCNC(=O)CC2
InChIInChI=1S/C20H27N3O3/c1-22-10-11-23(14-20(22)7-6-18(24)21-9-8-20)19(25)16-4-5-17-15(13-16)3-2-12-26-17/h4-5,13H,2-3,6-12,14H2,1H3,(H,21,24)/t20-/m1/s1
InChIKeyUEMDIRCBRQQRGB-HXUWFJFHSA-N
XLogP1.44
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.45
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (6R)-4-(3,4-dihydro-2H-chromene-6-carbonyl)-1-methyl-1,4,10-triazaspiro[5.6]dodecan-9-one with MolForge

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Related Compounds

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3,4-dihydro-2H-chromen-6-yl(piperidin-1-yl)methanone
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(6R)-1-methyl-4-(2-methylsulfanylacetyl)-1,4,10-triazaspiro[5.6]dodecan-9-one
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methyl 4-[[1-(3,4-dihydro-2H-chromene-6-carbonyl)-3-hydroxypiperidin-3-yl]methyl]piperazine-1-carboxylate
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Frequently Asked Questions

What is the IUPAC name of (6R)-4-(3,4-dihydro-2H-chromene-6-carbonyl)-1-methyl-1,4,10-triazaspiro[5.6]dodecan-9-one?
The IUPAC name of (6R)-4-(3,4-dihydro-2H-chromene-6-carbonyl)-1-methyl-1,4,10-triazaspiro[5.6]dodecan-9-one (CID 97119506) is (6R)-4-(3,4-dihydro-2H-chromene-6-carbonyl)-1-methyl-1,4,10-triazaspiro[5.6]dodecan-9-one.
What is the SMILES notation for (6R)-4-(3,4-dihydro-2H-chromene-6-carbonyl)-1-methyl-1,4,10-triazaspiro[5.6]dodecan-9-one?
The canonical SMILES for (6R)-4-(3,4-dihydro-2H-chromene-6-carbonyl)-1-methyl-1,4,10-triazaspiro[5.6]dodecan-9-one is CN1CCN(C(=O)c2ccc3c(c2)CCCO3)C[C@@]12CCNC(=O)CC2.
What is the InChIKey of (6R)-4-(3,4-dihydro-2H-chromene-6-carbonyl)-1-methyl-1,4,10-triazaspiro[5.6]dodecan-9-one?
The InChIKey is UEMDIRCBRQQRGB-HXUWFJFHSA-N. The full InChI is InChI=1S/C20H27N3O3/c1-22-10-11-23(14-20(22)7-6-18(24)21-9-8-20)19(25)16-4-5-17-15(13-16)3-2-12-26-17/h4-5,13H,2-3,6-12,14H2,1H3,(H,21,24)/t20-/m1/s1.
What are the key properties of (6R)-4-(3,4-dihydro-2H-chromene-6-carbonyl)-1-methyl-1,4,10-triazaspiro[5.6]dodecan-9-one?
(6R)-4-(3,4-dihydro-2H-chromene-6-carbonyl)-1-methyl-1,4,10-triazaspiro[5.6]dodecan-9-one has a molecular weight of 357.45 g/mol, XLogP of 1.44, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-4-(3,4-dihydro-2H-chromene-6-carbonyl)-1-methyl-1,4,10-triazaspiro[5.6]dodecan-9-one is sourced from PubChem (CID 97119506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).