1-(7-propan-2-yl-2,7-diazaspiro[3.4]octan-2-yl)-3-(1H-pyrrol-2-yl)propan-1-one

C16H25N3O — CID 131691561

IUPAC1-(7-propan-2-yl-2,7-diazaspiro[3.4]octan-2-yl)-3-(1H-pyrrol-2-yl)propan-1-one
SMILESCC(C)N1CCC2(CN(C(=O)CCc3ccc[nH]3)C2)C1
InChIInChI=1S/C16H25N3O/c1-13(2)18-9-7-16(10-18)11-19(12-16)15(20)6-5-14-4-3-8-17-14/h3-4,8,13,17H,5-7,9-12H2,1-2H3
InChIKeyFPTJAUGBNUPVBH-UHFFFAOYSA-N
MW275.40 g/mol
LogP1.89
Rot. Bonds4

About 1-(7-propan-2-yl-2,7-diazaspiro[3.4]octan-2-yl)-3-(1H-pyrrol-2-yl)propan-1-one

1-(7-propan-2-yl-2,7-diazaspiro[3.4]octan-2-yl)-3-(1H-pyrrol-2-yl)propan-1-one (PubChem CID 131691561) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is 1-(7-propan-2-yl-2,7-diazaspiro[3.4]octan-2-yl)-3-(1H-pyrrol-2-yl)propan-1-one.

Molecular Properties

Compound Name1-(7-propan-2-yl-2,7-diazaspiro[3.4]octan-2-yl)-3-(1H-pyrrol-2-yl)propan-1-one
PubChem CID131691561
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC Name1-(7-propan-2-yl-2,7-diazaspiro[3.4]octan-2-yl)-3-(1H-pyrrol-2-yl)propan-1-one
SMILESCC(C)N1CCC2(CN(C(=O)CCc3ccc[nH]3)C2)C1
InChIInChI=1S/C16H25N3O/c1-13(2)18-9-7-16(10-18)11-19(12-16)15(20)6-5-14-4-3-8-17-14/h3-4,8,13,17H,5-7,9-12H2,1-2H3
InChIKeyFPTJAUGBNUPVBH-UHFFFAOYSA-N
XLogP1.89
TPSA39.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[6-[3-(1H-pyrrol-2-yl)propanoyl]-6-azaspiro[3.4]octan-2-yl]methanesulfonamide
CID 131686063
1-(11-prop-2-enyl-8-oxa-3,11-diazaspiro[5.6]dodecan-3-yl)-3-(1H-pyrrol-2-yl)propan-1-one
CID 131686245
4-(2-hydroxyethyl)-1-methyl-9-[3-(1H-pyrrol-2-yl)propanoyl]-1,4,9-triazaspiro[5.5]undecan-5-one
CID 131690775
1-(2,2-dimethylpiperazin-1-yl)-3-(1H-pyrrol-2-yl)propan-1-one
CID 115273150
1-(1-prop-2-enyl-1,8-diazaspiro[4.5]decan-8-yl)-3-(1H-pyrrol-2-yl)propan-1-one
CID 131696541
(5S,9S)-9-methyl-2-prop-2-enyl-7-[3-(1H-pyrrol-2-yl)propanoyl]-2,7-diazaspiro[4.4]nonan-1-one
CID 131688296
1-(3-methoxy-1-oxa-8-azaspiro[4.5]decan-8-yl)-3-(1H-pyrrol-2-yl)propan-1-one
CID 131689474
formic acid;2-(pyridin-4-ylmethyl)-8-[3-(1H-pyrrol-2-yl)propanoyl]-2,8-diazaspiro[4.5]decan-3-one
CID 155870326
5-methyl-1-(7-propan-2-yl-2,7-diazaspiro[3.5]nonan-2-yl)hexan-1-one
CID 164720078
1-[2-(aminomethyl)-2-methylpiperidin-1-yl]-3-(1H-pyrrol-2-yl)propan-1-one
CID 115270770
1-[4-(2-fluorophenyl)piperazin-1-yl]-3-(1H-pyrrol-2-yl)propan-1-one
CID 110685207
[4-(methoxymethyl)phenyl]-(7-propan-2-yl-2,7-diazaspiro[3.4]octan-2-yl)methanone
CID 131691593

Frequently Asked Questions

What is the IUPAC name of 1-(7-propan-2-yl-2,7-diazaspiro[3.4]octan-2-yl)-3-(1H-pyrrol-2-yl)propan-1-one?
The IUPAC name of 1-(7-propan-2-yl-2,7-diazaspiro[3.4]octan-2-yl)-3-(1H-pyrrol-2-yl)propan-1-one (CID 131691561) is 1-(7-propan-2-yl-2,7-diazaspiro[3.4]octan-2-yl)-3-(1H-pyrrol-2-yl)propan-1-one.
What is the SMILES notation for 1-(7-propan-2-yl-2,7-diazaspiro[3.4]octan-2-yl)-3-(1H-pyrrol-2-yl)propan-1-one?
The canonical SMILES for 1-(7-propan-2-yl-2,7-diazaspiro[3.4]octan-2-yl)-3-(1H-pyrrol-2-yl)propan-1-one is CC(C)N1CCC2(CN(C(=O)CCc3ccc[nH]3)C2)C1.
What is the InChIKey of 1-(7-propan-2-yl-2,7-diazaspiro[3.4]octan-2-yl)-3-(1H-pyrrol-2-yl)propan-1-one?
The InChIKey is FPTJAUGBNUPVBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O/c1-13(2)18-9-7-16(10-18)11-19(12-16)15(20)6-5-14-4-3-8-17-14/h3-4,8,13,17H,5-7,9-12H2,1-2H3.
What are the key properties of 1-(7-propan-2-yl-2,7-diazaspiro[3.4]octan-2-yl)-3-(1H-pyrrol-2-yl)propan-1-one?
1-(7-propan-2-yl-2,7-diazaspiro[3.4]octan-2-yl)-3-(1H-pyrrol-2-yl)propan-1-one has a molecular weight of 275.40 g/mol, XLogP of 1.89, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-propan-2-yl-2,7-diazaspiro[3.4]octan-2-yl)-3-(1H-pyrrol-2-yl)propan-1-one is sourced from PubChem (CID 131691561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).