(5S)-7-(cyclopropylmethyl)-2-(6-oxo-1H-pyridine-3-carbonyl)-2,7-diazaspiro[4.5]decan-6-one

C18H23N3O3 — CID 97125382

IUPAC(5S)-7-(cyclopropylmethyl)-2-(6-oxo-1H-pyridine-3-carbonyl)-2,7-diazaspiro[4.5]decan-6-one
SMILESO=C(c1ccc(=O)[nH]c1)N1CC[C@@]2(CCCN(CC3CC3)C2=O)C1
InChIInChI=1S/C18H23N3O3/c22-15-5-4-14(10-19-15)16(23)21-9-7-18(12-21)6-1-8-20(17(18)24)11-13-2-3-13/h4-5,10,13H,1-3,6-9,11-12H2,(H,19,22)/t18-/m0/s1
InChIKeyHFXSZMBOPWEOFU-SFHVURJKSA-N
MW329.40 g/mol
LogP1.24
Rot. Bonds3

About (5S)-7-(cyclopropylmethyl)-2-(6-oxo-1H-pyridine-3-carbonyl)-2,7-diazaspiro[4.5]decan-6-one

(5S)-7-(cyclopropylmethyl)-2-(6-oxo-1H-pyridine-3-carbonyl)-2,7-diazaspiro[4.5]decan-6-one (PubChem CID 97125382) has the molecular formula C18H23N3O3 and a molecular weight of 329.40 g/mol. Its IUPAC name is (5S)-7-(cyclopropylmethyl)-2-(6-oxo-1H-pyridine-3-carbonyl)-2,7-diazaspiro[4.5]decan-6-one.

Molecular Properties

Compound Name(5S)-7-(cyclopropylmethyl)-2-(6-oxo-1H-pyridine-3-carbonyl)-2,7-diazaspiro[4.5]decan-6-one
PubChem CID97125382
Molecular FormulaC18H23N3O3
Molecular Weight329.40 g/mol
Exact Mass329.17
IUPAC Name(5S)-7-(cyclopropylmethyl)-2-(6-oxo-1H-pyridine-3-carbonyl)-2,7-diazaspiro[4.5]decan-6-one
SMILESO=C(c1ccc(=O)[nH]c1)N1CC[C@@]2(CCCN(CC3CC3)C2=O)C1
InChIInChI=1S/C18H23N3O3/c22-15-5-4-14(10-19-15)16(23)21-9-7-18(12-21)6-1-8-20(17(18)24)11-13-2-3-13/h4-5,10,13H,1-3,6-9,11-12H2,(H,19,22)/t18-/m0/s1
InChIKeyHFXSZMBOPWEOFU-SFHVURJKSA-N
XLogP1.24
TPSA73.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (5S)-7-(cyclopropylmethyl)-2-(6-oxo-1H-pyridine-3-carbonyl)-2,7-diazaspiro[4.5]decan-6-one with MolForge

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Related Compounds

(5S)-7-[(4-fluorophenyl)methyl]-2-(6-oxo-1H-pyridine-3-carbonyl)-2,7-diazaspiro[4.5]decan-6-one
CID 95721661
(5R)-7-[(2-fluorophenyl)methyl]-2-(6-oxo-1H-pyridine-3-carbonyl)-2,7-diazaspiro[4.5]decan-6-one
CID 95730507
(5S)-2-(5-chloro-6-oxo-1H-pyridine-3-carbonyl)-7-(cyclohexylmethyl)-2,7-diazaspiro[4.5]decan-6-one
CID 126431792
(5R)-2-(3-acetylbenzoyl)-7-(cyclopropylmethyl)-2,7-diazaspiro[4.5]decan-6-one
CID 97148069
7-[(3-methylphenyl)methyl]-2-(6-oxo-1H-pyridine-3-carbonyl)-2,7-diazaspiro[4.5]decan-6-one
CID 56913568
(5R)-7-(cyclobutylmethyl)-2-(1-methyl-6-oxopyridine-3-carbonyl)-2,7-diazaspiro[4.5]decan-6-one
CID 97122026
(5S)-7-(cyclopropylmethyl)-2-(3-methoxybenzoyl)-2,7-diazaspiro[4.5]decan-6-one
CID 26405234
(5S)-2-(1,3-benzodioxole-5-carbonyl)-7-(cyclobutylmethyl)-2,7-diazaspiro[4.5]decan-6-one
CID 42113655
7-(cyclopropylmethyl)-2-(1-ethyl-2-oxopyridine-4-carbonyl)-2,7-diazaspiro[4.5]decan-6-one
CID 72902847
7-(cyclopropylmethyl)-2-[4-(tetrazol-1-ylmethyl)benzoyl]-2,7-diazaspiro[4.5]decan-6-one
CID 72919228
7-(cyclohexylmethyl)-2-(pyridine-3-carbonyl)-2,7-diazaspiro[4.5]decan-6-one
CID 45220503
(5R)-7-(cyclopropylmethyl)-2-(2-methoxybenzoyl)-2,7-diazaspiro[4.5]decan-6-one
CID 25311849

Frequently Asked Questions

What is the IUPAC name of (5S)-7-(cyclopropylmethyl)-2-(6-oxo-1H-pyridine-3-carbonyl)-2,7-diazaspiro[4.5]decan-6-one?
The IUPAC name of (5S)-7-(cyclopropylmethyl)-2-(6-oxo-1H-pyridine-3-carbonyl)-2,7-diazaspiro[4.5]decan-6-one (CID 97125382) is (5S)-7-(cyclopropylmethyl)-2-(6-oxo-1H-pyridine-3-carbonyl)-2,7-diazaspiro[4.5]decan-6-one.
What is the SMILES notation for (5S)-7-(cyclopropylmethyl)-2-(6-oxo-1H-pyridine-3-carbonyl)-2,7-diazaspiro[4.5]decan-6-one?
The canonical SMILES for (5S)-7-(cyclopropylmethyl)-2-(6-oxo-1H-pyridine-3-carbonyl)-2,7-diazaspiro[4.5]decan-6-one is O=C(c1ccc(=O)[nH]c1)N1CC[C@@]2(CCCN(CC3CC3)C2=O)C1.
What is the InChIKey of (5S)-7-(cyclopropylmethyl)-2-(6-oxo-1H-pyridine-3-carbonyl)-2,7-diazaspiro[4.5]decan-6-one?
The InChIKey is HFXSZMBOPWEOFU-SFHVURJKSA-N. The full InChI is InChI=1S/C18H23N3O3/c22-15-5-4-14(10-19-15)16(23)21-9-7-18(12-21)6-1-8-20(17(18)24)11-13-2-3-13/h4-5,10,13H,1-3,6-9,11-12H2,(H,19,22)/t18-/m0/s1.
What are the key properties of (5S)-7-(cyclopropylmethyl)-2-(6-oxo-1H-pyridine-3-carbonyl)-2,7-diazaspiro[4.5]decan-6-one?
(5S)-7-(cyclopropylmethyl)-2-(6-oxo-1H-pyridine-3-carbonyl)-2,7-diazaspiro[4.5]decan-6-one has a molecular weight of 329.40 g/mol, XLogP of 1.24, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-7-(cyclopropylmethyl)-2-(6-oxo-1H-pyridine-3-carbonyl)-2,7-diazaspiro[4.5]decan-6-one is sourced from PubChem (CID 97125382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).