cyclopropyl-[(2R,3S)-2-(hydroxymethyl)-3-phenyl-6-(pyridine-2-carbonyl)-1,6-diazaspiro[3.3]heptan-1-yl]methanone

C22H23N3O3 — CID 134830080

IUPACcyclopropyl-[(2R,3S)-2-(hydroxymethyl)-3-phenyl-6-(pyridine-2-carbonyl)-1,6-diazaspiro[3.3]heptan-1-yl]methanone
SMILESO=C(c1ccccn1)N1CC2(C1)[C@@H](c1ccccc1)[C@H](CO)N2C(=O)C1CC1
InChIInChI=1S/C22H23N3O3/c26-12-18-19(15-6-2-1-3-7-15)22(25(18)20(27)16-9-10-16)13-24(14-22)21(28)17-8-4-5-11-23-17/h1-8,11,16,18-19,26H,9-10,12-14H2/t18-,19-/m0/s1
InChIKeyDFFCGNGTLHJDNE-OALUTQOASA-N
MW377.44 g/mol
LogP1.67
Rot. Bonds4

About cyclopropyl-[(2R,3S)-2-(hydroxymethyl)-3-phenyl-6-(pyridine-2-carbonyl)-1,6-diazaspiro[3.3]heptan-1-yl]methanone

cyclopropyl-[(2R,3S)-2-(hydroxymethyl)-3-phenyl-6-(pyridine-2-carbonyl)-1,6-diazaspiro[3.3]heptan-1-yl]methanone (PubChem CID 134830080) has the molecular formula C22H23N3O3 and a molecular weight of 377.44 g/mol. Its IUPAC name is cyclopropyl-[(2R,3S)-2-(hydroxymethyl)-3-phenyl-6-(pyridine-2-carbonyl)-1,6-diazaspiro[3.3]heptan-1-yl]methanone.

Molecular Properties

Compound Namecyclopropyl-[(2R,3S)-2-(hydroxymethyl)-3-phenyl-6-(pyridine-2-carbonyl)-1,6-diazaspiro[3.3]heptan-1-yl]methanone
PubChem CID134830080
Molecular FormulaC22H23N3O3
Molecular Weight377.44 g/mol
Exact Mass377.17
IUPAC Namecyclopropyl-[(2R,3S)-2-(hydroxymethyl)-3-phenyl-6-(pyridine-2-carbonyl)-1,6-diazaspiro[3.3]heptan-1-yl]methanone
SMILESO=C(c1ccccn1)N1CC2(C1)[C@@H](c1ccccc1)[C@H](CO)N2C(=O)C1CC1
InChIInChI=1S/C22H23N3O3/c26-12-18-19(15-6-2-1-3-7-15)22(25(18)20(27)16-9-10-16)13-24(14-22)21(28)17-8-4-5-11-23-17/h1-8,11,16,18-19,26H,9-10,12-14H2/t18-,19-/m0/s1
InChIKeyDFFCGNGTLHJDNE-OALUTQOASA-N
XLogP1.67
TPSA73.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.44
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of cyclopropyl-[(2R,3S)-2-(hydroxymethyl)-3-phenyl-6-(pyridine-2-carbonyl)-1,6-diazaspiro[3.3]heptan-1-yl]methanone?
The IUPAC name of cyclopropyl-[(2R,3S)-2-(hydroxymethyl)-3-phenyl-6-(pyridine-2-carbonyl)-1,6-diazaspiro[3.3]heptan-1-yl]methanone (CID 134830080) is cyclopropyl-[(2R,3S)-2-(hydroxymethyl)-3-phenyl-6-(pyridine-2-carbonyl)-1,6-diazaspiro[3.3]heptan-1-yl]methanone.
What is the SMILES notation for cyclopropyl-[(2R,3S)-2-(hydroxymethyl)-3-phenyl-6-(pyridine-2-carbonyl)-1,6-diazaspiro[3.3]heptan-1-yl]methanone?
The canonical SMILES for cyclopropyl-[(2R,3S)-2-(hydroxymethyl)-3-phenyl-6-(pyridine-2-carbonyl)-1,6-diazaspiro[3.3]heptan-1-yl]methanone is O=C(c1ccccn1)N1CC2(C1)[C@@H](c1ccccc1)[C@H](CO)N2C(=O)C1CC1.
What is the InChIKey of cyclopropyl-[(2R,3S)-2-(hydroxymethyl)-3-phenyl-6-(pyridine-2-carbonyl)-1,6-diazaspiro[3.3]heptan-1-yl]methanone?
The InChIKey is DFFCGNGTLHJDNE-OALUTQOASA-N. The full InChI is InChI=1S/C22H23N3O3/c26-12-18-19(15-6-2-1-3-7-15)22(25(18)20(27)16-9-10-16)13-24(14-22)21(28)17-8-4-5-11-23-17/h1-8,11,16,18-19,26H,9-10,12-14H2/t18-,19-/m0/s1.
What are the key properties of cyclopropyl-[(2R,3S)-2-(hydroxymethyl)-3-phenyl-6-(pyridine-2-carbonyl)-1,6-diazaspiro[3.3]heptan-1-yl]methanone?
cyclopropyl-[(2R,3S)-2-(hydroxymethyl)-3-phenyl-6-(pyridine-2-carbonyl)-1,6-diazaspiro[3.3]heptan-1-yl]methanone has a molecular weight of 377.44 g/mol, XLogP of 1.67, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-[(2R,3S)-2-(hydroxymethyl)-3-phenyl-6-(pyridine-2-carbonyl)-1,6-diazaspiro[3.3]heptan-1-yl]methanone is sourced from PubChem (CID 134830080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).