1-(1,4-dimethyl-1,4,9-triazaspiro[5.5]undecan-9-yl)-2-pyrrol-1-ylpentan-1-one

C19H32N4O — CID 56748789

IUPAC1-(1,4-dimethyl-1,4,9-triazaspiro[5.5]undecan-9-yl)-2-pyrrol-1-ylpentan-1-one
SMILESCCCC(C(=O)N1CCC2(CC1)CN(C)CCN2C)n1cccc1
InChIInChI=1S/C19H32N4O/c1-4-7-17(22-10-5-6-11-22)18(24)23-12-8-19(9-13-23)16-20(2)14-15-21(19)3/h5-6,10-11,17H,4,7-9,12-16H2,1-3H3
InChIKeyDFTGTXNJVQYXFM-UHFFFAOYSA-N
MW332.49 g/mol
LogP2.07
Rot. Bonds4

About 1-(1,4-dimethyl-1,4,9-triazaspiro[5.5]undecan-9-yl)-2-pyrrol-1-ylpentan-1-one

1-(1,4-dimethyl-1,4,9-triazaspiro[5.5]undecan-9-yl)-2-pyrrol-1-ylpentan-1-one (PubChem CID 56748789) has the molecular formula C19H32N4O and a molecular weight of 332.49 g/mol. Its IUPAC name is 1-(1,4-dimethyl-1,4,9-triazaspiro[5.5]undecan-9-yl)-2-pyrrol-1-ylpentan-1-one.

Molecular Properties

Compound Name1-(1,4-dimethyl-1,4,9-triazaspiro[5.5]undecan-9-yl)-2-pyrrol-1-ylpentan-1-one
PubChem CID56748789
Molecular FormulaC19H32N4O
Molecular Weight332.49 g/mol
Exact Mass332.26
IUPAC Name1-(1,4-dimethyl-1,4,9-triazaspiro[5.5]undecan-9-yl)-2-pyrrol-1-ylpentan-1-one
SMILESCCCC(C(=O)N1CCC2(CC1)CN(C)CCN2C)n1cccc1
InChIInChI=1S/C19H32N4O/c1-4-7-17(22-10-5-6-11-22)18(24)23-12-8-19(9-13-23)16-20(2)14-15-21(19)3/h5-6,10-11,17H,4,7-9,12-16H2,1-3H3
InChIKeyDFTGTXNJVQYXFM-UHFFFAOYSA-N
XLogP2.07
TPSA31.72 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.49
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-(1,4-dimethyl-1,4,9-triazaspiro[5.5]undecan-9-yl)-2-pyrrol-1-ylpentan-1-one with MolForge

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Related Compounds

4-methyl-1-[(2R)-2-pyrrol-1-ylpentanoyl]piperidine-4-carboxylic acid
CID 126446981
(2S)-1-(1,4-dimethyl-1,4,9-triazaspiro[5.5]undecan-9-yl)-2-(dipropylamino)propan-1-one
CID 56747608
2-[2-oxo-8-(2-pyrrol-1-ylpentanoyl)-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]acetic acid
CID 70758248
1-(4-methylpiperazin-1-yl)-4-methylsulfanyl-2-pyrrol-1-ylbutan-1-one
CID 121239709
2-(4-chloroanilino)-1-(1,4-dimethyl-1,4,9-triazaspiro[5.5]undecan-9-yl)butan-1-one
CID 56751131
ethyl (2S)-2-[(1,4-dimethyl-1,4,9-triazaspiro[5.5]undecane-9-carbonyl)amino]propanoate
CID 95195401
(2-butoxyphenyl)-(1,4-dimethyl-1,4,9-triazaspiro[5.5]undecan-9-yl)methanone
CID 56747964
(2S)-1-(1,4-dimethyl-1,4,9-triazaspiro[5.5]undecan-9-yl)-2-phenyl-2-(tetrazol-1-yl)ethanone
CID 98760333
2-(2-butan-2-ylphenoxy)-1-(1,4-dimethyl-1,4,9-triazaspiro[5.5]undecan-9-yl)ethanone
CID 56754034
2-[2-[(2S)-butan-2-yl]phenoxy]-1-(1,4-dimethyl-1,4,9-triazaspiro[5.5]undecan-9-yl)ethanone
CID 95216348
(1,4-dimethyl-1,4,9-triazaspiro[5.5]undecan-9-yl)-(5-propyl-1H-pyrazol-3-yl)methanone
CID 56745703
N-[4-(1,4-dimethyl-1,4,9-triazaspiro[5.5]undecane-9-carbonyl)phenyl]propanamide
CID 56752137

Frequently Asked Questions

What is the IUPAC name of 1-(1,4-dimethyl-1,4,9-triazaspiro[5.5]undecan-9-yl)-2-pyrrol-1-ylpentan-1-one?
The IUPAC name of 1-(1,4-dimethyl-1,4,9-triazaspiro[5.5]undecan-9-yl)-2-pyrrol-1-ylpentan-1-one (CID 56748789) is 1-(1,4-dimethyl-1,4,9-triazaspiro[5.5]undecan-9-yl)-2-pyrrol-1-ylpentan-1-one.
What is the SMILES notation for 1-(1,4-dimethyl-1,4,9-triazaspiro[5.5]undecan-9-yl)-2-pyrrol-1-ylpentan-1-one?
The canonical SMILES for 1-(1,4-dimethyl-1,4,9-triazaspiro[5.5]undecan-9-yl)-2-pyrrol-1-ylpentan-1-one is CCCC(C(=O)N1CCC2(CC1)CN(C)CCN2C)n1cccc1.
What is the InChIKey of 1-(1,4-dimethyl-1,4,9-triazaspiro[5.5]undecan-9-yl)-2-pyrrol-1-ylpentan-1-one?
The InChIKey is DFTGTXNJVQYXFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N4O/c1-4-7-17(22-10-5-6-11-22)18(24)23-12-8-19(9-13-23)16-20(2)14-15-21(19)3/h5-6,10-11,17H,4,7-9,12-16H2,1-3H3.
What are the key properties of 1-(1,4-dimethyl-1,4,9-triazaspiro[5.5]undecan-9-yl)-2-pyrrol-1-ylpentan-1-one?
1-(1,4-dimethyl-1,4,9-triazaspiro[5.5]undecan-9-yl)-2-pyrrol-1-ylpentan-1-one has a molecular weight of 332.49 g/mol, XLogP of 2.07, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,4-dimethyl-1,4,9-triazaspiro[5.5]undecan-9-yl)-2-pyrrol-1-ylpentan-1-one is sourced from PubChem (CID 56748789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).