(1-methylpyrrol-2-yl)-[(5S)-2-phenyl-2,7-diazaspiro[4.5]decan-7-yl]methanone

C20H25N3O — CID 3233085

IUPAC(1-methylpyrrol-2-yl)-[(5S)-2-phenyl-2,7-diazaspiro[4.5]decan-7-yl]methanone
SMILESCn1cccc1C(=O)N1CCC[C@@]2(CCN(c3ccccc3)C2)C1
InChIInChI=1S/C20H25N3O/c1-21-12-5-9-18(21)19(24)23-13-6-10-20(16-23)11-14-22(15-20)17-7-3-2-4-8-17/h2-5,7-9,12H,6,10-11,13-16H2,1H3/t20-/m0/s1
InChIKeyYSGZNTAIOLDLSA-FQEVSTJZSA-N
MW323.44 g/mol
LogP3.16
Rot. Bonds2

About (1-methylpyrrol-2-yl)-[(5S)-2-phenyl-2,7-diazaspiro[4.5]decan-7-yl]methanone

(1-methylpyrrol-2-yl)-[(5S)-2-phenyl-2,7-diazaspiro[4.5]decan-7-yl]methanone (PubChem CID 3233085) has the molecular formula C20H25N3O and a molecular weight of 323.44 g/mol. Its IUPAC name is (1-methylpyrrol-2-yl)-[(5S)-2-phenyl-2,7-diazaspiro[4.5]decan-7-yl]methanone.

Molecular Properties

Compound Name(1-methylpyrrol-2-yl)-[(5S)-2-phenyl-2,7-diazaspiro[4.5]decan-7-yl]methanone
PubChem CID3233085
Molecular FormulaC20H25N3O
Molecular Weight323.44 g/mol
Exact Mass323.20
IUPAC Name(1-methylpyrrol-2-yl)-[(5S)-2-phenyl-2,7-diazaspiro[4.5]decan-7-yl]methanone
SMILESCn1cccc1C(=O)N1CCC[C@@]2(CCN(c3ccccc3)C2)C1
InChIInChI=1S/C20H25N3O/c1-21-12-5-9-18(21)19(24)23-13-6-10-20(16-23)11-14-22(15-20)17-7-3-2-4-8-17/h2-5,7-9,12H,6,10-11,13-16H2,1H3/t20-/m0/s1
InChIKeyYSGZNTAIOLDLSA-FQEVSTJZSA-N
XLogP3.16
TPSA28.48 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1-methylpyrrol-2-yl)-[(5S)-2-phenyl-2,7-diazaspiro[4.5]decan-7-yl]methanone?
The IUPAC name of (1-methylpyrrol-2-yl)-[(5S)-2-phenyl-2,7-diazaspiro[4.5]decan-7-yl]methanone (CID 3233085) is (1-methylpyrrol-2-yl)-[(5S)-2-phenyl-2,7-diazaspiro[4.5]decan-7-yl]methanone.
What is the SMILES notation for (1-methylpyrrol-2-yl)-[(5S)-2-phenyl-2,7-diazaspiro[4.5]decan-7-yl]methanone?
The canonical SMILES for (1-methylpyrrol-2-yl)-[(5S)-2-phenyl-2,7-diazaspiro[4.5]decan-7-yl]methanone is Cn1cccc1C(=O)N1CCC[C@@]2(CCN(c3ccccc3)C2)C1.
What is the InChIKey of (1-methylpyrrol-2-yl)-[(5S)-2-phenyl-2,7-diazaspiro[4.5]decan-7-yl]methanone?
The InChIKey is YSGZNTAIOLDLSA-FQEVSTJZSA-N. The full InChI is InChI=1S/C20H25N3O/c1-21-12-5-9-18(21)19(24)23-13-6-10-20(16-23)11-14-22(15-20)17-7-3-2-4-8-17/h2-5,7-9,12H,6,10-11,13-16H2,1H3/t20-/m0/s1.
What are the key properties of (1-methylpyrrol-2-yl)-[(5S)-2-phenyl-2,7-diazaspiro[4.5]decan-7-yl]methanone?
(1-methylpyrrol-2-yl)-[(5S)-2-phenyl-2,7-diazaspiro[4.5]decan-7-yl]methanone has a molecular weight of 323.44 g/mol, XLogP of 3.16, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylpyrrol-2-yl)-[(5S)-2-phenyl-2,7-diazaspiro[4.5]decan-7-yl]methanone is sourced from PubChem (CID 3233085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).