(3-methoxy-7-azaspiro[3.5]nonan-7-yl)-(1-methylpyrrol-2-yl)methanone

C15H22N2O2 — CID 110197957

IUPAC(3-methoxy-7-azaspiro[3.5]nonan-7-yl)-(1-methylpyrrol-2-yl)methanone
SMILESCOC1CCC12CCN(C(=O)c1cccn1C)CC2
InChIInChI=1S/C15H22N2O2/c1-16-9-3-4-12(16)14(18)17-10-7-15(8-11-17)6-5-13(15)19-2/h3-4,9,13H,5-8,10-11H2,1-2H3
InChIKeyPTVVMWLFWYDIGU-UHFFFAOYSA-N
MW262.35 g/mol
LogP2.06
Rot. Bonds2

About (3-methoxy-7-azaspiro[3.5]nonan-7-yl)-(1-methylpyrrol-2-yl)methanone

(3-methoxy-7-azaspiro[3.5]nonan-7-yl)-(1-methylpyrrol-2-yl)methanone (PubChem CID 110197957) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is (3-methoxy-7-azaspiro[3.5]nonan-7-yl)-(1-methylpyrrol-2-yl)methanone.

Molecular Properties

Compound Name(3-methoxy-7-azaspiro[3.5]nonan-7-yl)-(1-methylpyrrol-2-yl)methanone
PubChem CID110197957
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name(3-methoxy-7-azaspiro[3.5]nonan-7-yl)-(1-methylpyrrol-2-yl)methanone
SMILESCOC1CCC12CCN(C(=O)c1cccn1C)CC2
InChIInChI=1S/C15H22N2O2/c1-16-9-3-4-12(16)14(18)17-10-7-15(8-11-17)6-5-13(15)19-2/h3-4,9,13H,5-8,10-11H2,1-2H3
InChIKeyPTVVMWLFWYDIGU-UHFFFAOYSA-N
XLogP2.06
TPSA34.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-methyl-N-[(3R)-7-(1-methylpyrrole-2-carbonyl)-7-azaspiro[3.5]nonan-3-yl]pyrrole-3-carboxamide
CID 97374971
[4-(methylaminomethyl)piperidin-1-yl]-(1-methylpyrrol-2-yl)methanone
CID 63250656
(3-methoxy-7-azaspiro[3.5]nonan-7-yl)-(4-methyl-3-pyridinyl)methanone
CID 110197948
[4-(fluoromethyl)piperidin-1-yl]-(1-methylpyrrol-2-yl)methanone
CID 126791630
2-(2-methoxyethyl)-8-(1-methylpyrrole-2-carbonyl)-2,8-diazaspiro[4.5]decan-1-one
CID 97449747
(1,1-dioxo-1,4-thiazinan-4-yl)-(1-methylpyrrol-2-yl)methanone
CID 146123880
(3aR,6aR)-N,N,2-trimethyl-1'-(1-methylpyrrole-2-carbonyl)spiro[3,4,5,6a-tetrahydro-1H-cyclopenta[c]pyrrole-6,4'-piperidine]-3a-carboxamide
CID 124809354
(4-amino-3,3-dimethylpiperidin-1-yl)-(1-methylpyrrol-2-yl)methanone
CID 120815383
(4S)-2-methyl-8-(1-methylpyrrole-2-carbonyl)-4-phenyl-2,8-diazaspiro[4.5]decan-1-one
CID 97452812
cyclopentyl-(3-methoxy-7-azaspiro[3.5]nonan-7-yl)methanone
CID 110197944
(1-methylpyrrol-2-yl)-(4-pyrazol-1-ylpiperidin-1-yl)methanone
CID 110467043
(1-methylpyrrol-2-yl)-(9-pyridin-4-yl-3,9-diazaspiro[5.5]undecan-3-yl)methanone
CID 3234689

Frequently Asked Questions

What is the IUPAC name of (3-methoxy-7-azaspiro[3.5]nonan-7-yl)-(1-methylpyrrol-2-yl)methanone?
The IUPAC name of (3-methoxy-7-azaspiro[3.5]nonan-7-yl)-(1-methylpyrrol-2-yl)methanone (CID 110197957) is (3-methoxy-7-azaspiro[3.5]nonan-7-yl)-(1-methylpyrrol-2-yl)methanone.
What is the SMILES notation for (3-methoxy-7-azaspiro[3.5]nonan-7-yl)-(1-methylpyrrol-2-yl)methanone?
The canonical SMILES for (3-methoxy-7-azaspiro[3.5]nonan-7-yl)-(1-methylpyrrol-2-yl)methanone is COC1CCC12CCN(C(=O)c1cccn1C)CC2.
What is the InChIKey of (3-methoxy-7-azaspiro[3.5]nonan-7-yl)-(1-methylpyrrol-2-yl)methanone?
The InChIKey is PTVVMWLFWYDIGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-16-9-3-4-12(16)14(18)17-10-7-15(8-11-17)6-5-13(15)19-2/h3-4,9,13H,5-8,10-11H2,1-2H3.
What are the key properties of (3-methoxy-7-azaspiro[3.5]nonan-7-yl)-(1-methylpyrrol-2-yl)methanone?
(3-methoxy-7-azaspiro[3.5]nonan-7-yl)-(1-methylpyrrol-2-yl)methanone has a molecular weight of 262.35 g/mol, XLogP of 2.06, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methoxy-7-azaspiro[3.5]nonan-7-yl)-(1-methylpyrrol-2-yl)methanone is sourced from PubChem (CID 110197957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).