(6S)-1-methyl-4-(pyrrolidine-1-carbonyl)-1,4,10-triazaspiro[5.6]dodecan-9-one

C15H26N4O2 — CID 97197677

IUPAC(6S)-1-methyl-4-(pyrrolidine-1-carbonyl)-1,4,10-triazaspiro[5.6]dodecan-9-one
SMILESCN1CCN(C(=O)N2CCCC2)C[C@]12CCNC(=O)CC2
InChIInChI=1S/C15H26N4O2/c1-17-10-11-19(14(21)18-8-2-3-9-18)12-15(17)5-4-13(20)16-7-6-15/h2-12H2,1H3,(H,16,20)/t15-/m0/s1
InChIKeyBMOCRQNYMCTTLB-HNNXBMFYSA-N
MW294.40 g/mol
LogP0.49
Rot. Bonds

About (6S)-1-methyl-4-(pyrrolidine-1-carbonyl)-1,4,10-triazaspiro[5.6]dodecan-9-one

(6S)-1-methyl-4-(pyrrolidine-1-carbonyl)-1,4,10-triazaspiro[5.6]dodecan-9-one (PubChem CID 97197677) has the molecular formula C15H26N4O2 and a molecular weight of 294.40 g/mol. Its IUPAC name is (6S)-1-methyl-4-(pyrrolidine-1-carbonyl)-1,4,10-triazaspiro[5.6]dodecan-9-one.

Molecular Properties

Compound Name(6S)-1-methyl-4-(pyrrolidine-1-carbonyl)-1,4,10-triazaspiro[5.6]dodecan-9-one
PubChem CID97197677
Molecular FormulaC15H26N4O2
Molecular Weight294.40 g/mol
Exact Mass294.21
IUPAC Name(6S)-1-methyl-4-(pyrrolidine-1-carbonyl)-1,4,10-triazaspiro[5.6]dodecan-9-one
SMILESCN1CCN(C(=O)N2CCCC2)C[C@]12CCNC(=O)CC2
InChIInChI=1S/C15H26N4O2/c1-17-10-11-19(14(21)18-8-2-3-9-18)12-15(17)5-4-13(20)16-7-6-15/h2-12H2,1H3,(H,16,20)/t15-/m0/s1
InChIKeyBMOCRQNYMCTTLB-HNNXBMFYSA-N
XLogP0.49
TPSA55.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 50.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(6R)-1-methyl-4-(2-methylsulfanylacetyl)-1,4,10-triazaspiro[5.6]dodecan-9-one
CID 97152352
(6S)-4-(2-cyclopentylacetyl)-1-methyl-1,4,10-triazaspiro[5.6]dodecan-9-one
CID 97132445
N-cyclopentyl-1-methyl-9-oxo-1,4,10-triazaspiro[5.6]dodecane-4-carboxamide
CID 72870632
1-methyl-4-(pyridine-4-carbonyl)-1,4,10-triazaspiro[5.6]dodecan-9-one
CID 72924847
1-methyl-4-[4-(2-oxopyrrolidin-1-yl)butanoyl]-1,4,10-triazaspiro[5.6]dodecan-9-one
CID 72879992
(6S)-4-(1,6-dimethyl-2-oxopyridine-3-carbonyl)-1-methyl-1,4,10-triazaspiro[5.6]dodecan-9-one
CID 97153801
(6S)-4-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-1-methyl-1,4,10-triazaspiro[5.6]dodecan-9-one
CID 97286170
(6R)-4-(3,4-dihydro-2H-chromene-6-carbonyl)-1-methyl-1,4,10-triazaspiro[5.6]dodecan-9-one
CID 97119506
(6S)-1-methyl-4-[3-(6-oxo-1H-pyridazin-3-yl)propanoyl]-1,4,10-triazaspiro[5.6]dodecan-9-one
CID 97133610
1-methyl-4-(3-pyridin-2-ylpropanoyl)-1,4,10-triazaspiro[5.6]dodecan-9-one
CID 72923202
(6S)-1-methyl-4-[2-(methylamino)-1,3-thiazole-4-carbonyl]-1,4,10-triazaspiro[5.6]dodecan-9-one
CID 97136481
1-methyl-4-[2-(methylamino)-1,3-thiazole-4-carbonyl]-1,4,10-triazaspiro[5.6]dodecan-9-one
CID 72897327

Frequently Asked Questions

What is the IUPAC name of (6S)-1-methyl-4-(pyrrolidine-1-carbonyl)-1,4,10-triazaspiro[5.6]dodecan-9-one?
The IUPAC name of (6S)-1-methyl-4-(pyrrolidine-1-carbonyl)-1,4,10-triazaspiro[5.6]dodecan-9-one (CID 97197677) is (6S)-1-methyl-4-(pyrrolidine-1-carbonyl)-1,4,10-triazaspiro[5.6]dodecan-9-one.
What is the SMILES notation for (6S)-1-methyl-4-(pyrrolidine-1-carbonyl)-1,4,10-triazaspiro[5.6]dodecan-9-one?
The canonical SMILES for (6S)-1-methyl-4-(pyrrolidine-1-carbonyl)-1,4,10-triazaspiro[5.6]dodecan-9-one is CN1CCN(C(=O)N2CCCC2)C[C@]12CCNC(=O)CC2.
What is the InChIKey of (6S)-1-methyl-4-(pyrrolidine-1-carbonyl)-1,4,10-triazaspiro[5.6]dodecan-9-one?
The InChIKey is BMOCRQNYMCTTLB-HNNXBMFYSA-N. The full InChI is InChI=1S/C15H26N4O2/c1-17-10-11-19(14(21)18-8-2-3-9-18)12-15(17)5-4-13(20)16-7-6-15/h2-12H2,1H3,(H,16,20)/t15-/m0/s1.
What are the key properties of (6S)-1-methyl-4-(pyrrolidine-1-carbonyl)-1,4,10-triazaspiro[5.6]dodecan-9-one?
(6S)-1-methyl-4-(pyrrolidine-1-carbonyl)-1,4,10-triazaspiro[5.6]dodecan-9-one has a molecular weight of 294.40 g/mol, XLogP of 0.49, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-1-methyl-4-(pyrrolidine-1-carbonyl)-1,4,10-triazaspiro[5.6]dodecan-9-one is sourced from PubChem (CID 97197677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).