(6R)-1-methyl-4-(3-pyridin-3-ylpropyl)-1,4,10-triazaspiro[5.6]dodecan-9-one

C18H28N4O — CID 98788911

IUPAC(6R)-1-methyl-4-(3-pyridin-3-ylpropyl)-1,4,10-triazaspiro[5.6]dodecan-9-one
SMILESCN1CCN(CCCc2cccnc2)C[C@@]12CCNC(=O)CC2
InChIInChI=1S/C18H28N4O/c1-21-12-13-22(11-3-5-16-4-2-9-19-14-16)15-18(21)7-6-17(23)20-10-8-18/h2,4,9,14H,3,5-8,10-13,15H2,1H3,(H,20,23)/t18-/m1/s1
InChIKeyVPBAIODPUCQQLE-GOSISDBHSA-N
MW316.45 g/mol
LogP1.30
Rot. Bonds4

About (6R)-1-methyl-4-(3-pyridin-3-ylpropyl)-1,4,10-triazaspiro[5.6]dodecan-9-one

(6R)-1-methyl-4-(3-pyridin-3-ylpropyl)-1,4,10-triazaspiro[5.6]dodecan-9-one (PubChem CID 98788911) has the molecular formula C18H28N4O and a molecular weight of 316.45 g/mol. Its IUPAC name is (6R)-1-methyl-4-(3-pyridin-3-ylpropyl)-1,4,10-triazaspiro[5.6]dodecan-9-one.

Molecular Properties

Compound Name(6R)-1-methyl-4-(3-pyridin-3-ylpropyl)-1,4,10-triazaspiro[5.6]dodecan-9-one
PubChem CID98788911
Molecular FormulaC18H28N4O
Molecular Weight316.45 g/mol
Exact Mass316.23
IUPAC Name(6R)-1-methyl-4-(3-pyridin-3-ylpropyl)-1,4,10-triazaspiro[5.6]dodecan-9-one
SMILESCN1CCN(CCCc2cccnc2)C[C@@]12CCNC(=O)CC2
InChIInChI=1S/C18H28N4O/c1-21-12-13-22(11-3-5-16-4-2-9-19-14-16)15-18(21)7-6-17(23)20-10-8-18/h2,4,9,14H,3,5-8,10-13,15H2,1H3,(H,20,23)/t18-/m1/s1
InChIKeyVPBAIODPUCQQLE-GOSISDBHSA-N
XLogP1.30
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.45
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (6R)-1-methyl-4-(3-pyridin-3-ylpropyl)-1,4,10-triazaspiro[5.6]dodecan-9-one with MolForge

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Related Compounds

4-[[(6R)-1-methyl-9-oxo-1,4,10-triazaspiro[5.6]dodecan-4-yl]methyl]benzoic acid
CID 98788809
(6S)-1-methyl-4-(3-phenylpropyl)-10-prop-2-enyl-1,4,10-triazaspiro[5.6]dodecan-9-one
CID 97132773
1-(3-pyridin-3-ylpropyl)piperazine;trihydrochloride
CID 86694323
4-[[2-(cyclopentylmethyl)-1H-imidazol-5-yl]methyl]-1-methyl-1,4,10-triazaspiro[5.6]dodecan-9-one
CID 72883515
3-(3-pyrrolidin-1-ylpropyl)pyridine
CID 70096862
1-methyl-4-(pyridine-4-carbonyl)-1,4,10-triazaspiro[5.6]dodecan-9-one
CID 72924847
1-methyl-4-[(6-methylimidazo[1,2-a]pyridin-2-yl)methyl]-1,4,10-triazaspiro[5.6]dodecan-9-one
CID 70765827
1-methyl-4-[5-(pyrrolidin-1-ylmethyl)-2-pyridinyl]-1,4,10-triazaspiro[5.6]dodecan-9-one
CID 72839919
(6R)-1-methyl-4-[(1-propylimidazol-2-yl)methyl]-1,4,10-triazaspiro[5.6]dodecan-9-one
CID 98788792
(6R)-4-(benzenesulfonyl)-1-methyl-1,4,10-triazaspiro[5.6]dodecan-9-one
CID 98789035
(6S)-N-[(3-fluorophenyl)methyl]-1-methyl-9-oxo-1,4,10-triazaspiro[5.6]dodecane-4-carboxamide
CID 97147820
4-[[5-fluoro-2-(trifluoromethyl)phenyl]methyl]-1-methyl-1,4,10-triazaspiro[5.6]dodecan-9-one
CID 70736430

Frequently Asked Questions

What is the IUPAC name of (6R)-1-methyl-4-(3-pyridin-3-ylpropyl)-1,4,10-triazaspiro[5.6]dodecan-9-one?
The IUPAC name of (6R)-1-methyl-4-(3-pyridin-3-ylpropyl)-1,4,10-triazaspiro[5.6]dodecan-9-one (CID 98788911) is (6R)-1-methyl-4-(3-pyridin-3-ylpropyl)-1,4,10-triazaspiro[5.6]dodecan-9-one.
What is the SMILES notation for (6R)-1-methyl-4-(3-pyridin-3-ylpropyl)-1,4,10-triazaspiro[5.6]dodecan-9-one?
The canonical SMILES for (6R)-1-methyl-4-(3-pyridin-3-ylpropyl)-1,4,10-triazaspiro[5.6]dodecan-9-one is CN1CCN(CCCc2cccnc2)C[C@@]12CCNC(=O)CC2.
What is the InChIKey of (6R)-1-methyl-4-(3-pyridin-3-ylpropyl)-1,4,10-triazaspiro[5.6]dodecan-9-one?
The InChIKey is VPBAIODPUCQQLE-GOSISDBHSA-N. The full InChI is InChI=1S/C18H28N4O/c1-21-12-13-22(11-3-5-16-4-2-9-19-14-16)15-18(21)7-6-17(23)20-10-8-18/h2,4,9,14H,3,5-8,10-13,15H2,1H3,(H,20,23)/t18-/m1/s1.
What are the key properties of (6R)-1-methyl-4-(3-pyridin-3-ylpropyl)-1,4,10-triazaspiro[5.6]dodecan-9-one?
(6R)-1-methyl-4-(3-pyridin-3-ylpropyl)-1,4,10-triazaspiro[5.6]dodecan-9-one has a molecular weight of 316.45 g/mol, XLogP of 1.30, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-1-methyl-4-(3-pyridin-3-ylpropyl)-1,4,10-triazaspiro[5.6]dodecan-9-one is sourced from PubChem (CID 98788911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).