(1-methyl-3-phenyl-1,8-diazaspiro[4.5]decan-8-yl)-(1-propan-2-ylpyrrol-2-yl)methanone

C23H31N3O — CID 72843342

IUPAC(1-methyl-3-phenyl-1,8-diazaspiro[4.5]decan-8-yl)-(1-propan-2-ylpyrrol-2-yl)methanone
SMILESCC(C)n1cccc1C(=O)N1CCC2(CC1)CC(c1ccccc1)CN2C
InChIInChI=1S/C23H31N3O/c1-18(2)26-13-7-10-21(26)22(27)25-14-11-23(12-15-25)16-20(17-24(23)3)19-8-5-4-6-9-19/h4-10,13,18,20H,11-12,14-17H2,1-3H3
InChIKeyOPUXRRPVVHNDLT-UHFFFAOYSA-N
MW365.52 g/mol
LogP4.16
Rot. Bonds3

About (1-methyl-3-phenyl-1,8-diazaspiro[4.5]decan-8-yl)-(1-propan-2-ylpyrrol-2-yl)methanone

(1-methyl-3-phenyl-1,8-diazaspiro[4.5]decan-8-yl)-(1-propan-2-ylpyrrol-2-yl)methanone (PubChem CID 72843342) has the molecular formula C23H31N3O and a molecular weight of 365.52 g/mol. Its IUPAC name is (1-methyl-3-phenyl-1,8-diazaspiro[4.5]decan-8-yl)-(1-propan-2-ylpyrrol-2-yl)methanone.

Molecular Properties

Compound Name(1-methyl-3-phenyl-1,8-diazaspiro[4.5]decan-8-yl)-(1-propan-2-ylpyrrol-2-yl)methanone
PubChem CID72843342
Molecular FormulaC23H31N3O
Molecular Weight365.52 g/mol
Exact Mass365.25
IUPAC Name(1-methyl-3-phenyl-1,8-diazaspiro[4.5]decan-8-yl)-(1-propan-2-ylpyrrol-2-yl)methanone
SMILESCC(C)n1cccc1C(=O)N1CCC2(CC1)CC(c1ccccc1)CN2C
InChIInChI=1S/C23H31N3O/c1-18(2)26-13-7-10-21(26)22(27)25-14-11-23(12-15-25)16-20(17-24(23)3)19-8-5-4-6-9-19/h4-10,13,18,20H,11-12,14-17H2,1-3H3
InChIKeyOPUXRRPVVHNDLT-UHFFFAOYSA-N
XLogP4.16
TPSA28.48 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.52
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1-methyl-3-phenyl-1,8-diazaspiro[4.5]decan-8-yl)-(1-propan-2-ylpyrrol-2-yl)methanone?
The IUPAC name of (1-methyl-3-phenyl-1,8-diazaspiro[4.5]decan-8-yl)-(1-propan-2-ylpyrrol-2-yl)methanone (CID 72843342) is (1-methyl-3-phenyl-1,8-diazaspiro[4.5]decan-8-yl)-(1-propan-2-ylpyrrol-2-yl)methanone.
What is the SMILES notation for (1-methyl-3-phenyl-1,8-diazaspiro[4.5]decan-8-yl)-(1-propan-2-ylpyrrol-2-yl)methanone?
The canonical SMILES for (1-methyl-3-phenyl-1,8-diazaspiro[4.5]decan-8-yl)-(1-propan-2-ylpyrrol-2-yl)methanone is CC(C)n1cccc1C(=O)N1CCC2(CC1)CC(c1ccccc1)CN2C.
What is the InChIKey of (1-methyl-3-phenyl-1,8-diazaspiro[4.5]decan-8-yl)-(1-propan-2-ylpyrrol-2-yl)methanone?
The InChIKey is OPUXRRPVVHNDLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N3O/c1-18(2)26-13-7-10-21(26)22(27)25-14-11-23(12-15-25)16-20(17-24(23)3)19-8-5-4-6-9-19/h4-10,13,18,20H,11-12,14-17H2,1-3H3.
What are the key properties of (1-methyl-3-phenyl-1,8-diazaspiro[4.5]decan-8-yl)-(1-propan-2-ylpyrrol-2-yl)methanone?
(1-methyl-3-phenyl-1,8-diazaspiro[4.5]decan-8-yl)-(1-propan-2-ylpyrrol-2-yl)methanone has a molecular weight of 365.52 g/mol, XLogP of 4.16, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methyl-3-phenyl-1,8-diazaspiro[4.5]decan-8-yl)-(1-propan-2-ylpyrrol-2-yl)methanone is sourced from PubChem (CID 72843342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).