(9-methyl-1,9-diazaspiro[4.6]undecan-1-yl)-(1-methylpyrrol-3-yl)methanone

C16H25N3O — CID 131679227

IUPAC(9-methyl-1,9-diazaspiro[4.6]undecan-1-yl)-(1-methylpyrrol-3-yl)methanone
SMILESCN1CCCC2(CCCN2C(=O)c2ccn(C)c2)CC1
InChIInChI=1S/C16H25N3O/c1-17-9-3-6-16(8-12-17)7-4-10-19(16)15(20)14-5-11-18(2)13-14/h5,11,13H,3-4,6-10,12H2,1-2H3
InChIKeyDLARTBVCBMKICX-UHFFFAOYSA-N
MW275.40 g/mol
LogP2.12
Rot. Bonds1

About (9-methyl-1,9-diazaspiro[4.6]undecan-1-yl)-(1-methylpyrrol-3-yl)methanone

(9-methyl-1,9-diazaspiro[4.6]undecan-1-yl)-(1-methylpyrrol-3-yl)methanone (PubChem CID 131679227) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is (9-methyl-1,9-diazaspiro[4.6]undecan-1-yl)-(1-methylpyrrol-3-yl)methanone.

Molecular Properties

Compound Name(9-methyl-1,9-diazaspiro[4.6]undecan-1-yl)-(1-methylpyrrol-3-yl)methanone
PubChem CID131679227
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC Name(9-methyl-1,9-diazaspiro[4.6]undecan-1-yl)-(1-methylpyrrol-3-yl)methanone
SMILESCN1CCCC2(CCCN2C(=O)c2ccn(C)c2)CC1
InChIInChI=1S/C16H25N3O/c1-17-9-3-6-16(8-12-17)7-4-10-19(16)15(20)14-5-11-18(2)13-14/h5,11,13H,3-4,6-10,12H2,1-2H3
InChIKeyDLARTBVCBMKICX-UHFFFAOYSA-N
XLogP2.12
TPSA28.48 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(1-methylpyrrol-3-yl)-(9-thieno[3,2-d]pyrimidin-4-yl-1,9-diazaspiro[4.6]undecan-1-yl)methanone
CID 131679286
4-(1-azaspiro[3.3]heptane-1-carbonyl)benzoic acid
CID 119186646
1-(1-tert-butylpyrrole-3-carbonyl)-9-methyl-1,9-diazaspiro[4.5]decan-10-one
CID 163309328
(4-methylphenyl)-[4-(1-methylpyrrole-3-carbonyl)-1,4-diazepan-1-yl]methanone
CID 110808065
[4-(1-methylpyrrole-3-carbonyl)piperazin-1-yl]-pyridin-4-ylmethanone
CID 110803075
1,7-diazaspiro[4.4]nonan-1-yl-(4-methylphenyl)methanone
CID 121451704
(4-fluorophenyl)-[4-(1-methylpyrrole-3-carbonyl)-1,4-diazepan-1-yl]methanone
CID 110808133
N-[4-[2-[1-(4-methylpiperazin-1-yl)cyclopropanecarbonyl]-2,5-diazaspiro[3.4]octane-5-carbonyl]phenyl]acetamide
CID 171698178
cyclohexyl-[4-(1-methylpyrrole-3-carbonyl)piperazin-1-yl]methanone
CID 110801056
1-[4-(1-methylpyrrole-3-carbonyl)piperazin-1-yl]pentan-1-one
CID 110800670
1-azaspiro[4.5]decan-1-yl-[4-(oxan-3-yl)phenyl]methanone
CID 138038642
[4-(1-methylpyrrole-3-carbonyl)piperazin-1-yl]-(1H-pyrrol-3-yl)methanone
CID 110815355

Frequently Asked Questions

What is the IUPAC name of (9-methyl-1,9-diazaspiro[4.6]undecan-1-yl)-(1-methylpyrrol-3-yl)methanone?
The IUPAC name of (9-methyl-1,9-diazaspiro[4.6]undecan-1-yl)-(1-methylpyrrol-3-yl)methanone (CID 131679227) is (9-methyl-1,9-diazaspiro[4.6]undecan-1-yl)-(1-methylpyrrol-3-yl)methanone.
What is the SMILES notation for (9-methyl-1,9-diazaspiro[4.6]undecan-1-yl)-(1-methylpyrrol-3-yl)methanone?
The canonical SMILES for (9-methyl-1,9-diazaspiro[4.6]undecan-1-yl)-(1-methylpyrrol-3-yl)methanone is CN1CCCC2(CCCN2C(=O)c2ccn(C)c2)CC1.
What is the InChIKey of (9-methyl-1,9-diazaspiro[4.6]undecan-1-yl)-(1-methylpyrrol-3-yl)methanone?
The InChIKey is DLARTBVCBMKICX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O/c1-17-9-3-6-16(8-12-17)7-4-10-19(16)15(20)14-5-11-18(2)13-14/h5,11,13H,3-4,6-10,12H2,1-2H3.
What are the key properties of (9-methyl-1,9-diazaspiro[4.6]undecan-1-yl)-(1-methylpyrrol-3-yl)methanone?
(9-methyl-1,9-diazaspiro[4.6]undecan-1-yl)-(1-methylpyrrol-3-yl)methanone has a molecular weight of 275.40 g/mol, XLogP of 2.12, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (9-methyl-1,9-diazaspiro[4.6]undecan-1-yl)-(1-methylpyrrol-3-yl)methanone is sourced from PubChem (CID 131679227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).