(6S)-1-methyl-4-[3-(2-oxo-1-pyridinyl)propanoyl]-1,4,10-triazaspiro[5.6]dodecan-9-one

C18H26N4O3 — CID 97128611

IUPAC(6S)-1-methyl-4-[3-(2-oxo-1-pyridinyl)propanoyl]-1,4,10-triazaspiro[5.6]dodecan-9-one
SMILESCN1CCN(C(=O)CCn2ccccc2=O)C[C@]12CCNC(=O)CC2
InChIInChI=1S/C18H26N4O3/c1-20-12-13-22(14-18(20)7-5-15(23)19-9-8-18)17(25)6-11-21-10-3-2-4-16(21)24/h2-4,10H,5-9,11-14H2,1H3,(H,19,23)/t18-/m0/s1
InChIKeyRTNQPJZSZYGHDY-SFHVURJKSA-N
MW346.43 g/mol
LogP0.05
Rot. Bonds3

About (6S)-1-methyl-4-[3-(2-oxo-1-pyridinyl)propanoyl]-1,4,10-triazaspiro[5.6]dodecan-9-one

(6S)-1-methyl-4-[3-(2-oxo-1-pyridinyl)propanoyl]-1,4,10-triazaspiro[5.6]dodecan-9-one (PubChem CID 97128611) has the molecular formula C18H26N4O3 and a molecular weight of 346.43 g/mol. Its IUPAC name is (6S)-1-methyl-4-[3-(2-oxo-1-pyridinyl)propanoyl]-1,4,10-triazaspiro[5.6]dodecan-9-one.

Molecular Properties

Compound Name(6S)-1-methyl-4-[3-(2-oxo-1-pyridinyl)propanoyl]-1,4,10-triazaspiro[5.6]dodecan-9-one
PubChem CID97128611
Molecular FormulaC18H26N4O3
Molecular Weight346.43 g/mol
Exact Mass346.20
IUPAC Name(6S)-1-methyl-4-[3-(2-oxo-1-pyridinyl)propanoyl]-1,4,10-triazaspiro[5.6]dodecan-9-one
SMILESCN1CCN(C(=O)CCn2ccccc2=O)C[C@]12CCNC(=O)CC2
InChIInChI=1S/C18H26N4O3/c1-20-12-13-22(14-18(20)7-5-15(23)19-9-8-18)17(25)6-11-21-10-3-2-4-16(21)24/h2-4,10H,5-9,11-14H2,1H3,(H,19,23)/t18-/m0/s1
InChIKeyRTNQPJZSZYGHDY-SFHVURJKSA-N
XLogP0.05
TPSA74.65 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 50.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (6S)-1-methyl-4-[3-(2-oxo-1-pyridinyl)propanoyl]-1,4,10-triazaspiro[5.6]dodecan-9-one?
The IUPAC name of (6S)-1-methyl-4-[3-(2-oxo-1-pyridinyl)propanoyl]-1,4,10-triazaspiro[5.6]dodecan-9-one (CID 97128611) is (6S)-1-methyl-4-[3-(2-oxo-1-pyridinyl)propanoyl]-1,4,10-triazaspiro[5.6]dodecan-9-one.
What is the SMILES notation for (6S)-1-methyl-4-[3-(2-oxo-1-pyridinyl)propanoyl]-1,4,10-triazaspiro[5.6]dodecan-9-one?
The canonical SMILES for (6S)-1-methyl-4-[3-(2-oxo-1-pyridinyl)propanoyl]-1,4,10-triazaspiro[5.6]dodecan-9-one is CN1CCN(C(=O)CCn2ccccc2=O)C[C@]12CCNC(=O)CC2.
What is the InChIKey of (6S)-1-methyl-4-[3-(2-oxo-1-pyridinyl)propanoyl]-1,4,10-triazaspiro[5.6]dodecan-9-one?
The InChIKey is RTNQPJZSZYGHDY-SFHVURJKSA-N. The full InChI is InChI=1S/C18H26N4O3/c1-20-12-13-22(14-18(20)7-5-15(23)19-9-8-18)17(25)6-11-21-10-3-2-4-16(21)24/h2-4,10H,5-9,11-14H2,1H3,(H,19,23)/t18-/m0/s1.
What are the key properties of (6S)-1-methyl-4-[3-(2-oxo-1-pyridinyl)propanoyl]-1,4,10-triazaspiro[5.6]dodecan-9-one?
(6S)-1-methyl-4-[3-(2-oxo-1-pyridinyl)propanoyl]-1,4,10-triazaspiro[5.6]dodecan-9-one has a molecular weight of 346.43 g/mol, XLogP of 0.05, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-1-methyl-4-[3-(2-oxo-1-pyridinyl)propanoyl]-1,4,10-triazaspiro[5.6]dodecan-9-one is sourced from PubChem (CID 97128611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).