(2-benzhydryl-2,9-diazaspiro[5.5]undecan-9-yl)-pyrazin-2-ylmethanone

C27H30N4O — CID 3235553

IUPAC(2-benzhydryl-2,9-diazaspiro[5.5]undecan-9-yl)-pyrazin-2-ylmethanone
SMILESO=C(c1cnccn1)N1CCC2(CCCN(C(c3ccccc3)c3ccccc3)C2)CC1
InChIInChI=1S/C27H30N4O/c32-26(24-20-28-15-16-29-24)30-18-13-27(14-19-30)12-7-17-31(21-27)25(22-8-3-1-4-9-22)23-10-5-2-6-11-23/h1-6,8-11,15-16,20,25H,7,12-14,17-19,21H2
InChIKeyNBPPWWHRJXBDGQ-UHFFFAOYSA-N
MW426.56 g/mol
LogP4.58
Rot. Bonds4

About (2-benzhydryl-2,9-diazaspiro[5.5]undecan-9-yl)-pyrazin-2-ylmethanone

(2-benzhydryl-2,9-diazaspiro[5.5]undecan-9-yl)-pyrazin-2-ylmethanone (PubChem CID 3235553) has the molecular formula C27H30N4O and a molecular weight of 426.56 g/mol. Its IUPAC name is (2-benzhydryl-2,9-diazaspiro[5.5]undecan-9-yl)-pyrazin-2-ylmethanone.

Molecular Properties

Compound Name(2-benzhydryl-2,9-diazaspiro[5.5]undecan-9-yl)-pyrazin-2-ylmethanone
PubChem CID3235553
Molecular FormulaC27H30N4O
Molecular Weight426.56 g/mol
Exact Mass426.24
IUPAC Name(2-benzhydryl-2,9-diazaspiro[5.5]undecan-9-yl)-pyrazin-2-ylmethanone
SMILESO=C(c1cnccn1)N1CCC2(CCCN(C(c3ccccc3)c3ccccc3)C2)CC1
InChIInChI=1S/C27H30N4O/c32-26(24-20-28-15-16-29-24)30-18-13-27(14-19-30)12-7-17-31(21-27)25(22-8-3-1-4-9-22)23-10-5-2-6-11-23/h1-6,8-11,15-16,20,25H,7,12-14,17-19,21H2
InChIKeyNBPPWWHRJXBDGQ-UHFFFAOYSA-N
XLogP4.58
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.56
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (2-benzhydryl-2,9-diazaspiro[5.5]undecan-9-yl)-pyrazin-2-ylmethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2-benzhydryl-2,9-diazaspiro[5.5]undecan-9-yl)-pyrazin-2-ylmethanone?
The IUPAC name of (2-benzhydryl-2,9-diazaspiro[5.5]undecan-9-yl)-pyrazin-2-ylmethanone (CID 3235553) is (2-benzhydryl-2,9-diazaspiro[5.5]undecan-9-yl)-pyrazin-2-ylmethanone.
What is the SMILES notation for (2-benzhydryl-2,9-diazaspiro[5.5]undecan-9-yl)-pyrazin-2-ylmethanone?
The canonical SMILES for (2-benzhydryl-2,9-diazaspiro[5.5]undecan-9-yl)-pyrazin-2-ylmethanone is O=C(c1cnccn1)N1CCC2(CCCN(C(c3ccccc3)c3ccccc3)C2)CC1.
What is the InChIKey of (2-benzhydryl-2,9-diazaspiro[5.5]undecan-9-yl)-pyrazin-2-ylmethanone?
The InChIKey is NBPPWWHRJXBDGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N4O/c32-26(24-20-28-15-16-29-24)30-18-13-27(14-19-30)12-7-17-31(21-27)25(22-8-3-1-4-9-22)23-10-5-2-6-11-23/h1-6,8-11,15-16,20,25H,7,12-14,17-19,21H2.
What are the key properties of (2-benzhydryl-2,9-diazaspiro[5.5]undecan-9-yl)-pyrazin-2-ylmethanone?
(2-benzhydryl-2,9-diazaspiro[5.5]undecan-9-yl)-pyrazin-2-ylmethanone has a molecular weight of 426.56 g/mol, XLogP of 4.58, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-benzhydryl-2,9-diazaspiro[5.5]undecan-9-yl)-pyrazin-2-ylmethanone is sourced from PubChem (CID 3235553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).