(2-benzhydryl-2,7-diazaspiro[3.5]nonan-7-yl)-(1-methylpyrrol-2-yl)methanone

C26H29N3O — CID 3235423

IUPAC(2-benzhydryl-2,7-diazaspiro[3.5]nonan-7-yl)-(1-methylpyrrol-2-yl)methanone
SMILESCn1cccc1C(=O)N1CCC2(CC1)CN(C(c1ccccc1)c1ccccc1)C2
InChIInChI=1S/C26H29N3O/c1-27-16-8-13-23(27)25(30)28-17-14-26(15-18-28)19-29(20-26)24(21-9-4-2-5-10-21)22-11-6-3-7-12-22/h2-13,16,24H,14-15,17-20H2,1H3
InChIKeySRYDGBDFOYHQSW-UHFFFAOYSA-N
MW399.54 g/mol
LogP4.35
Rot. Bonds4

About (2-benzhydryl-2,7-diazaspiro[3.5]nonan-7-yl)-(1-methylpyrrol-2-yl)methanone

(2-benzhydryl-2,7-diazaspiro[3.5]nonan-7-yl)-(1-methylpyrrol-2-yl)methanone (PubChem CID 3235423) has the molecular formula C26H29N3O and a molecular weight of 399.54 g/mol. Its IUPAC name is (2-benzhydryl-2,7-diazaspiro[3.5]nonan-7-yl)-(1-methylpyrrol-2-yl)methanone.

Molecular Properties

Compound Name(2-benzhydryl-2,7-diazaspiro[3.5]nonan-7-yl)-(1-methylpyrrol-2-yl)methanone
PubChem CID3235423
Molecular FormulaC26H29N3O
Molecular Weight399.54 g/mol
Exact Mass399.23
IUPAC Name(2-benzhydryl-2,7-diazaspiro[3.5]nonan-7-yl)-(1-methylpyrrol-2-yl)methanone
SMILESCn1cccc1C(=O)N1CCC2(CC1)CN(C(c1ccccc1)c1ccccc1)C2
InChIInChI=1S/C26H29N3O/c1-27-16-8-13-23(27)25(30)28-17-14-26(15-18-28)19-29(20-26)24(21-9-4-2-5-10-21)22-11-6-3-7-12-22/h2-13,16,24H,14-15,17-20H2,1H3
InChIKeySRYDGBDFOYHQSW-UHFFFAOYSA-N
XLogP4.35
TPSA28.48 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.54
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2-benzhydryl-2,7-diazaspiro[3.5]nonan-7-yl)-(1-methylpyrrol-2-yl)methanone?
The IUPAC name of (2-benzhydryl-2,7-diazaspiro[3.5]nonan-7-yl)-(1-methylpyrrol-2-yl)methanone (CID 3235423) is (2-benzhydryl-2,7-diazaspiro[3.5]nonan-7-yl)-(1-methylpyrrol-2-yl)methanone.
What is the SMILES notation for (2-benzhydryl-2,7-diazaspiro[3.5]nonan-7-yl)-(1-methylpyrrol-2-yl)methanone?
The canonical SMILES for (2-benzhydryl-2,7-diazaspiro[3.5]nonan-7-yl)-(1-methylpyrrol-2-yl)methanone is Cn1cccc1C(=O)N1CCC2(CC1)CN(C(c1ccccc1)c1ccccc1)C2.
What is the InChIKey of (2-benzhydryl-2,7-diazaspiro[3.5]nonan-7-yl)-(1-methylpyrrol-2-yl)methanone?
The InChIKey is SRYDGBDFOYHQSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N3O/c1-27-16-8-13-23(27)25(30)28-17-14-26(15-18-28)19-29(20-26)24(21-9-4-2-5-10-21)22-11-6-3-7-12-22/h2-13,16,24H,14-15,17-20H2,1H3.
What are the key properties of (2-benzhydryl-2,7-diazaspiro[3.5]nonan-7-yl)-(1-methylpyrrol-2-yl)methanone?
(2-benzhydryl-2,7-diazaspiro[3.5]nonan-7-yl)-(1-methylpyrrol-2-yl)methanone has a molecular weight of 399.54 g/mol, XLogP of 4.35, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-benzhydryl-2,7-diazaspiro[3.5]nonan-7-yl)-(1-methylpyrrol-2-yl)methanone is sourced from PubChem (CID 3235423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).