(5S)-7-cyclopentyl-2-(2-methyl-6-oxo-1H-pyridine-4-carbonyl)-2,7-diazaspiro[4.5]decan-6-one

C20H27N3O3 — CID 97197236

IUPAC(5S)-7-cyclopentyl-2-(2-methyl-6-oxo-1H-pyridine-4-carbonyl)-2,7-diazaspiro[4.5]decan-6-one
SMILESCc1cc(C(=O)N2CC[C@@]3(CCCN(C4CCCC4)C3=O)C2)cc(=O)[nH]1
InChIInChI=1S/C20H27N3O3/c1-14-11-15(12-17(24)21-14)18(25)22-10-8-20(13-22)7-4-9-23(19(20)26)16-5-2-3-6-16/h11-12,16H,2-10,13H2,1H3,(H,21,24)/t20-/m0/s1
InChIKeyMTAKWCIUCBEKST-FQEVSTJZSA-N
MW357.45 g/mol
LogP2.08
Rot. Bonds2

About (5S)-7-cyclopentyl-2-(2-methyl-6-oxo-1H-pyridine-4-carbonyl)-2,7-diazaspiro[4.5]decan-6-one

(5S)-7-cyclopentyl-2-(2-methyl-6-oxo-1H-pyridine-4-carbonyl)-2,7-diazaspiro[4.5]decan-6-one (PubChem CID 97197236) has the molecular formula C20H27N3O3 and a molecular weight of 357.45 g/mol. Its IUPAC name is (5S)-7-cyclopentyl-2-(2-methyl-6-oxo-1H-pyridine-4-carbonyl)-2,7-diazaspiro[4.5]decan-6-one.

Molecular Properties

Compound Name(5S)-7-cyclopentyl-2-(2-methyl-6-oxo-1H-pyridine-4-carbonyl)-2,7-diazaspiro[4.5]decan-6-one
PubChem CID97197236
Molecular FormulaC20H27N3O3
Molecular Weight357.45 g/mol
Exact Mass357.21
IUPAC Name(5S)-7-cyclopentyl-2-(2-methyl-6-oxo-1H-pyridine-4-carbonyl)-2,7-diazaspiro[4.5]decan-6-one
SMILESCc1cc(C(=O)N2CC[C@@]3(CCCN(C4CCCC4)C3=O)C2)cc(=O)[nH]1
InChIInChI=1S/C20H27N3O3/c1-14-11-15(12-17(24)21-14)18(25)22-10-8-20(13-22)7-4-9-23(19(20)26)16-5-2-3-6-16/h11-12,16H,2-10,13H2,1H3,(H,21,24)/t20-/m0/s1
InChIKeyMTAKWCIUCBEKST-FQEVSTJZSA-N
XLogP2.08
TPSA73.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.45
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5S)-7-cyclopentyl-2-(2-methyl-6-oxo-1H-pyridine-4-carbonyl)-2,7-diazaspiro[4.5]decan-6-one?
The IUPAC name of (5S)-7-cyclopentyl-2-(2-methyl-6-oxo-1H-pyridine-4-carbonyl)-2,7-diazaspiro[4.5]decan-6-one (CID 97197236) is (5S)-7-cyclopentyl-2-(2-methyl-6-oxo-1H-pyridine-4-carbonyl)-2,7-diazaspiro[4.5]decan-6-one.
What is the SMILES notation for (5S)-7-cyclopentyl-2-(2-methyl-6-oxo-1H-pyridine-4-carbonyl)-2,7-diazaspiro[4.5]decan-6-one?
The canonical SMILES for (5S)-7-cyclopentyl-2-(2-methyl-6-oxo-1H-pyridine-4-carbonyl)-2,7-diazaspiro[4.5]decan-6-one is Cc1cc(C(=O)N2CC[C@@]3(CCCN(C4CCCC4)C3=O)C2)cc(=O)[nH]1.
What is the InChIKey of (5S)-7-cyclopentyl-2-(2-methyl-6-oxo-1H-pyridine-4-carbonyl)-2,7-diazaspiro[4.5]decan-6-one?
The InChIKey is MTAKWCIUCBEKST-FQEVSTJZSA-N. The full InChI is InChI=1S/C20H27N3O3/c1-14-11-15(12-17(24)21-14)18(25)22-10-8-20(13-22)7-4-9-23(19(20)26)16-5-2-3-6-16/h11-12,16H,2-10,13H2,1H3,(H,21,24)/t20-/m0/s1.
What are the key properties of (5S)-7-cyclopentyl-2-(2-methyl-6-oxo-1H-pyridine-4-carbonyl)-2,7-diazaspiro[4.5]decan-6-one?
(5S)-7-cyclopentyl-2-(2-methyl-6-oxo-1H-pyridine-4-carbonyl)-2,7-diazaspiro[4.5]decan-6-one has a molecular weight of 357.45 g/mol, XLogP of 2.08, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-7-cyclopentyl-2-(2-methyl-6-oxo-1H-pyridine-4-carbonyl)-2,7-diazaspiro[4.5]decan-6-one is sourced from PubChem (CID 97197236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).