(5R)-7-(cyclopent-3-ene-1-carbonyl)-2-pyridin-3-yl-2,7-diazaspiro[4.4]nonan-1-one

C18H21N3O2 — CID 97451472

IUPAC(5R)-7-(cyclopent-3-ene-1-carbonyl)-2-pyridin-3-yl-2,7-diazaspiro[4.4]nonan-1-one
SMILESO=C(C1CC=CC1)N1CC[C@@]2(CCN(c3cccnc3)C2=O)C1
InChIInChI=1S/C18H21N3O2/c22-16(14-4-1-2-5-14)20-10-7-18(13-20)8-11-21(17(18)23)15-6-3-9-19-12-15/h1-3,6,9,12,14H,4-5,7-8,10-11,13H2/t18-/m1/s1
InChIKeyMEXKNVBJGHWHSE-GOSISDBHSA-N
MW311.38 g/mol
LogP2.00
Rot. Bonds2

About (5R)-7-(cyclopent-3-ene-1-carbonyl)-2-pyridin-3-yl-2,7-diazaspiro[4.4]nonan-1-one

(5R)-7-(cyclopent-3-ene-1-carbonyl)-2-pyridin-3-yl-2,7-diazaspiro[4.4]nonan-1-one (PubChem CID 97451472) has the molecular formula C18H21N3O2 and a molecular weight of 311.38 g/mol. Its IUPAC name is (5R)-7-(cyclopent-3-ene-1-carbonyl)-2-pyridin-3-yl-2,7-diazaspiro[4.4]nonan-1-one.

Molecular Properties

Compound Name(5R)-7-(cyclopent-3-ene-1-carbonyl)-2-pyridin-3-yl-2,7-diazaspiro[4.4]nonan-1-one
PubChem CID97451472
Molecular FormulaC18H21N3O2
Molecular Weight311.38 g/mol
Exact Mass311.16
IUPAC Name(5R)-7-(cyclopent-3-ene-1-carbonyl)-2-pyridin-3-yl-2,7-diazaspiro[4.4]nonan-1-one
SMILESO=C(C1CC=CC1)N1CC[C@@]2(CCN(c3cccnc3)C2=O)C1
InChIInChI=1S/C18H21N3O2/c22-16(14-4-1-2-5-14)20-10-7-18(13-20)8-11-21(17(18)23)15-6-3-9-19-12-15/h1-3,6,9,12,14H,4-5,7-8,10-11,13H2/t18-/m1/s1
InChIKeyMEXKNVBJGHWHSE-GOSISDBHSA-N
XLogP2.00
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

8-(3,3-difluorocyclobutanecarbonyl)-2-pyridin-3-yl-2,8-diazaspiro[4.5]decan-1-one
CID 131690179
(5R)-9-(pyridine-4-carbonyl)-2-pyridin-3-yl-2,9-diazaspiro[4.5]decan-1-one
CID 97490320
2-pyridin-3-yl-7-(2-pyridin-2-ylacetyl)-2,7-diazaspiro[4.4]nonan-1-one
CID 134078370
9-(5-methyl-1,2-oxazole-4-carbonyl)-2-pyridin-3-yl-2,9-diazaspiro[4.5]decan-1-one
CID 134075107
8-[2-(1-hydroxycyclobutyl)acetyl]-2-pyridin-3-yl-2,8-diazaspiro[4.5]decan-1-one
CID 131690170
9-(cyclopropanecarbonyl)-2-phenyl-2,9-diazaspiro[4.5]decan-1-one
CID 155875537
9-[2-(1-methoxycyclobutyl)acetyl]-2-pyridin-3-yl-2,9-diazaspiro[4.5]decan-1-one
CID 131688887
2-pyridin-3-yl-9-[3-(1H-pyrrol-2-yl)propanoyl]-2,9-diazaspiro[4.5]decan-1-one
CID 131688959
9-(3-fluorocyclobutanecarbonyl)-2-phenyl-2,9-diazaspiro[4.5]decan-1-one
CID 131679959
(5R)-9-[(3R)-oxolan-3-yl]-2-pyridin-3-yl-2,9-diazaspiro[4.5]decan-1-one
CID 124521986
(5S)-9-[(3S)-oxolan-3-yl]-2-pyridin-3-yl-2,9-diazaspiro[4.5]decan-1-one
CID 98778255
(5aR,9aR)-8-(cyclopent-3-ene-1-carbonyl)-4-pyridin-3-yl-3,5a,6,7,9,9a-hexahydro-2H-pyrido[4,3-f][1,4]oxazepin-5-one
CID 97477165

Frequently Asked Questions

What is the IUPAC name of (5R)-7-(cyclopent-3-ene-1-carbonyl)-2-pyridin-3-yl-2,7-diazaspiro[4.4]nonan-1-one?
The IUPAC name of (5R)-7-(cyclopent-3-ene-1-carbonyl)-2-pyridin-3-yl-2,7-diazaspiro[4.4]nonan-1-one (CID 97451472) is (5R)-7-(cyclopent-3-ene-1-carbonyl)-2-pyridin-3-yl-2,7-diazaspiro[4.4]nonan-1-one.
What is the SMILES notation for (5R)-7-(cyclopent-3-ene-1-carbonyl)-2-pyridin-3-yl-2,7-diazaspiro[4.4]nonan-1-one?
The canonical SMILES for (5R)-7-(cyclopent-3-ene-1-carbonyl)-2-pyridin-3-yl-2,7-diazaspiro[4.4]nonan-1-one is O=C(C1CC=CC1)N1CC[C@@]2(CCN(c3cccnc3)C2=O)C1.
What is the InChIKey of (5R)-7-(cyclopent-3-ene-1-carbonyl)-2-pyridin-3-yl-2,7-diazaspiro[4.4]nonan-1-one?
The InChIKey is MEXKNVBJGHWHSE-GOSISDBHSA-N. The full InChI is InChI=1S/C18H21N3O2/c22-16(14-4-1-2-5-14)20-10-7-18(13-20)8-11-21(17(18)23)15-6-3-9-19-12-15/h1-3,6,9,12,14H,4-5,7-8,10-11,13H2/t18-/m1/s1.
What are the key properties of (5R)-7-(cyclopent-3-ene-1-carbonyl)-2-pyridin-3-yl-2,7-diazaspiro[4.4]nonan-1-one?
(5R)-7-(cyclopent-3-ene-1-carbonyl)-2-pyridin-3-yl-2,7-diazaspiro[4.4]nonan-1-one has a molecular weight of 311.38 g/mol, XLogP of 2.00, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-7-(cyclopent-3-ene-1-carbonyl)-2-pyridin-3-yl-2,7-diazaspiro[4.4]nonan-1-one is sourced from PubChem (CID 97451472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).