(6R)-4-[(5-ethyl-2-pyridinyl)methyl]-1-methyl-10-prop-2-enyl-1,4,10-triazaspiro[5.6]dodecan-9-one

C21H32N4O — CID 98809259

IUPAC(6R)-4-[(5-ethyl-2-pyridinyl)methyl]-1-methyl-10-prop-2-enyl-1,4,10-triazaspiro[5.6]dodecan-9-one
SMILESC=CCN1CC[C@]2(CCC1=O)CN(Cc1ccc(CC)cn1)CCN2C
InChIInChI=1S/C21H32N4O/c1-4-11-25-12-10-21(9-8-20(25)26)17-24(14-13-23(21)3)16-19-7-6-18(5-2)15-22-19/h4,6-7,15H,1,5,8-14,16-17H2,2-3H3/t21-/m1/s1
InChIKeyJYIVXSJXFLDAAC-OAQYLSRUSA-N
MW356.51 g/mol
LogP2.33
Rot. Bonds5

About (6R)-4-[(5-ethyl-2-pyridinyl)methyl]-1-methyl-10-prop-2-enyl-1,4,10-triazaspiro[5.6]dodecan-9-one

(6R)-4-[(5-ethyl-2-pyridinyl)methyl]-1-methyl-10-prop-2-enyl-1,4,10-triazaspiro[5.6]dodecan-9-one (PubChem CID 98809259) has the molecular formula C21H32N4O and a molecular weight of 356.51 g/mol. Its IUPAC name is (6R)-4-[(5-ethyl-2-pyridinyl)methyl]-1-methyl-10-prop-2-enyl-1,4,10-triazaspiro[5.6]dodecan-9-one.

Molecular Properties

Compound Name(6R)-4-[(5-ethyl-2-pyridinyl)methyl]-1-methyl-10-prop-2-enyl-1,4,10-triazaspiro[5.6]dodecan-9-one
PubChem CID98809259
Molecular FormulaC21H32N4O
Molecular Weight356.51 g/mol
Exact Mass356.26
IUPAC Name(6R)-4-[(5-ethyl-2-pyridinyl)methyl]-1-methyl-10-prop-2-enyl-1,4,10-triazaspiro[5.6]dodecan-9-one
SMILESC=CCN1CC[C@]2(CCC1=O)CN(Cc1ccc(CC)cn1)CCN2C
InChIInChI=1S/C21H32N4O/c1-4-11-25-12-10-21(9-8-20(25)26)17-24(14-13-23(21)3)16-19-7-6-18(5-2)15-22-19/h4,6-7,15H,1,5,8-14,16-17H2,2-3H3/t21-/m1/s1
InChIKeyJYIVXSJXFLDAAC-OAQYLSRUSA-N
XLogP2.33
TPSA39.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.51
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(6S)-4-[[6-(dimethylamino)-3-pyridinyl]methyl]-1-methyl-10-prop-2-enyl-1,4,10-triazaspiro[5.6]dodecan-9-one
CID 97116135
4-(1H-imidazol-2-ylmethyl)-1-methyl-10-prop-2-enyl-1,4,10-triazaspiro[5.6]dodecan-9-one
CID 70759071
1-methyl-10-prop-2-enyl-4-(quinolin-4-ylmethyl)-1,4,10-triazaspiro[5.6]dodecan-9-one
CID 70715822
(6S)-1-methyl-4-(3-phenylpropyl)-10-prop-2-enyl-1,4,10-triazaspiro[5.6]dodecan-9-one
CID 97132773
(6R)-1-methyl-4-[(1-methylbenzimidazol-2-yl)methyl]-10-prop-2-enyl-1,4,10-triazaspiro[5.6]dodecan-9-one
CID 98789048
(6S)-4-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-1-methyl-10-prop-2-enyl-1,4,10-triazaspiro[5.6]dodecan-9-one
CID 97130092
(6R)-1-methyl-4-[3-(2-methylimidazol-1-yl)propyl]-10-prop-2-enyl-1,4,10-triazaspiro[5.6]dodecan-9-one
CID 98788959
(6R)-4-[(2-fluoro-4-methoxyphenyl)methyl]-1-methyl-10-prop-2-enyl-1,4,10-triazaspiro[5.6]dodecan-9-one
CID 98789067
(6S)-4-[(2-fluoro-4-methoxyphenyl)methyl]-1-methyl-10-prop-2-enyl-1,4,10-triazaspiro[5.6]dodecan-9-one
CID 97153896
4-[2-(3,4-dimethylphenoxy)ethyl]-1-methyl-10-prop-2-enyl-1,4,10-triazaspiro[5.6]dodecan-9-one
CID 70718122
4-(1-ethylpiperidin-4-yl)-1-methyl-10-prop-2-enyl-1,4,10-triazaspiro[5.6]dodecan-9-one
CID 70731372
(6R)-10-ethyl-4-[[4-(2-hydroxyethoxy)phenyl]methyl]-1-methyl-1,4,10-triazaspiro[5.6]dodecan-9-one
CID 97194524

Frequently Asked Questions

What is the IUPAC name of (6R)-4-[(5-ethyl-2-pyridinyl)methyl]-1-methyl-10-prop-2-enyl-1,4,10-triazaspiro[5.6]dodecan-9-one?
The IUPAC name of (6R)-4-[(5-ethyl-2-pyridinyl)methyl]-1-methyl-10-prop-2-enyl-1,4,10-triazaspiro[5.6]dodecan-9-one (CID 98809259) is (6R)-4-[(5-ethyl-2-pyridinyl)methyl]-1-methyl-10-prop-2-enyl-1,4,10-triazaspiro[5.6]dodecan-9-one.
What is the SMILES notation for (6R)-4-[(5-ethyl-2-pyridinyl)methyl]-1-methyl-10-prop-2-enyl-1,4,10-triazaspiro[5.6]dodecan-9-one?
The canonical SMILES for (6R)-4-[(5-ethyl-2-pyridinyl)methyl]-1-methyl-10-prop-2-enyl-1,4,10-triazaspiro[5.6]dodecan-9-one is C=CCN1CC[C@]2(CCC1=O)CN(Cc1ccc(CC)cn1)CCN2C.
What is the InChIKey of (6R)-4-[(5-ethyl-2-pyridinyl)methyl]-1-methyl-10-prop-2-enyl-1,4,10-triazaspiro[5.6]dodecan-9-one?
The InChIKey is JYIVXSJXFLDAAC-OAQYLSRUSA-N. The full InChI is InChI=1S/C21H32N4O/c1-4-11-25-12-10-21(9-8-20(25)26)17-24(14-13-23(21)3)16-19-7-6-18(5-2)15-22-19/h4,6-7,15H,1,5,8-14,16-17H2,2-3H3/t21-/m1/s1.
What are the key properties of (6R)-4-[(5-ethyl-2-pyridinyl)methyl]-1-methyl-10-prop-2-enyl-1,4,10-triazaspiro[5.6]dodecan-9-one?
(6R)-4-[(5-ethyl-2-pyridinyl)methyl]-1-methyl-10-prop-2-enyl-1,4,10-triazaspiro[5.6]dodecan-9-one has a molecular weight of 356.51 g/mol, XLogP of 2.33, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-4-[(5-ethyl-2-pyridinyl)methyl]-1-methyl-10-prop-2-enyl-1,4,10-triazaspiro[5.6]dodecan-9-one is sourced from PubChem (CID 98809259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).