(1-methyl-1,4-diazaspiro[5.5]undecan-4-yl)-(4-methyl-1H-pyrrol-3-yl)methanone

C16H25N3O — CID 126839749

IUPAC(1-methyl-1,4-diazaspiro[5.5]undecan-4-yl)-(4-methyl-1H-pyrrol-3-yl)methanone
SMILESCc1c[nH]cc1C(=O)N1CCN(C)C2(CCCCC2)C1
InChIInChI=1S/C16H25N3O/c1-13-10-17-11-14(13)15(20)19-9-8-18(2)16(12-19)6-4-3-5-7-16/h10-11,17H,3-9,12H2,1-2H3
InChIKeyOSFMRKSOFVJCAL-UHFFFAOYSA-N
MW275.40 g/mol
LogP2.41
Rot. Bonds1

About (1-methyl-1,4-diazaspiro[5.5]undecan-4-yl)-(4-methyl-1H-pyrrol-3-yl)methanone

(1-methyl-1,4-diazaspiro[5.5]undecan-4-yl)-(4-methyl-1H-pyrrol-3-yl)methanone (PubChem CID 126839749) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is (1-methyl-1,4-diazaspiro[5.5]undecan-4-yl)-(4-methyl-1H-pyrrol-3-yl)methanone.

Molecular Properties

Compound Name(1-methyl-1,4-diazaspiro[5.5]undecan-4-yl)-(4-methyl-1H-pyrrol-3-yl)methanone
PubChem CID126839749
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC Name(1-methyl-1,4-diazaspiro[5.5]undecan-4-yl)-(4-methyl-1H-pyrrol-3-yl)methanone
SMILESCc1c[nH]cc1C(=O)N1CCN(C)C2(CCCCC2)C1
InChIInChI=1S/C16H25N3O/c1-13-10-17-11-14(13)15(20)19-9-8-18(2)16(12-19)6-4-3-5-7-16/h10-11,17H,3-9,12H2,1-2H3
InChIKeyOSFMRKSOFVJCAL-UHFFFAOYSA-N
XLogP2.41
TPSA39.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-(4-methyl-1H-pyrrol-3-yl)methanone;hydrochloride
CID 120806462
(4-amino-3,3-dimethylpiperidin-1-yl)-(4-methyl-1H-pyrrol-3-yl)methanone
CID 120816624
(4-amino-3,3-dimethylpiperidin-1-yl)-(4-methyl-1H-pyrrol-3-yl)methanone;hydrochloride
CID 120816623
(4-methyl-1H-pyrrol-3-yl)-piperazin-1-ylmethanone;hydrochloride
CID 131160128
1,4-diazepan-1-yl-(4-methyl-1H-pyrrol-3-yl)methanone
CID 119414366
(4-fluoro-2-methylphenyl)-(7-methyl-3,7,11-triazaspiro[5.6]dodecan-11-yl)methanone
CID 91829336
(1-methyl-9-oxa-1,4-diazaspiro[5.5]undecan-4-yl)-(3-methyl-1-propylpyrazol-4-yl)methanone
CID 138807598
(6S)-4-(1,6-dimethyl-2-oxopyridine-3-carbonyl)-1-methyl-1,4,10-triazaspiro[5.6]dodecan-9-one
CID 97153801
(3-aminopiperidin-1-yl)-(4-methyl-1H-pyrrol-3-yl)methanone
CID 119377405
[(5R)-1-methyl-1,9-diazaspiro[4.5]decan-9-yl]-quinolin-2-ylmethanone
CID 97393407
5-(1,9-dimethyl-1,4,9-triazaspiro[5.5]undecane-4-carbonyl)-2-propan-2-yl-1H-pyrimidin-6-one
CID 56742402
[(3R)-3-aminopyrrolidin-1-yl]-(4-methyl-1H-pyrrol-3-yl)methanone
CID 128922242

Frequently Asked Questions

What is the IUPAC name of (1-methyl-1,4-diazaspiro[5.5]undecan-4-yl)-(4-methyl-1H-pyrrol-3-yl)methanone?
The IUPAC name of (1-methyl-1,4-diazaspiro[5.5]undecan-4-yl)-(4-methyl-1H-pyrrol-3-yl)methanone (CID 126839749) is (1-methyl-1,4-diazaspiro[5.5]undecan-4-yl)-(4-methyl-1H-pyrrol-3-yl)methanone.
What is the SMILES notation for (1-methyl-1,4-diazaspiro[5.5]undecan-4-yl)-(4-methyl-1H-pyrrol-3-yl)methanone?
The canonical SMILES for (1-methyl-1,4-diazaspiro[5.5]undecan-4-yl)-(4-methyl-1H-pyrrol-3-yl)methanone is Cc1c[nH]cc1C(=O)N1CCN(C)C2(CCCCC2)C1.
What is the InChIKey of (1-methyl-1,4-diazaspiro[5.5]undecan-4-yl)-(4-methyl-1H-pyrrol-3-yl)methanone?
The InChIKey is OSFMRKSOFVJCAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O/c1-13-10-17-11-14(13)15(20)19-9-8-18(2)16(12-19)6-4-3-5-7-16/h10-11,17H,3-9,12H2,1-2H3.
What are the key properties of (1-methyl-1,4-diazaspiro[5.5]undecan-4-yl)-(4-methyl-1H-pyrrol-3-yl)methanone?
(1-methyl-1,4-diazaspiro[5.5]undecan-4-yl)-(4-methyl-1H-pyrrol-3-yl)methanone has a molecular weight of 275.40 g/mol, XLogP of 2.41, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methyl-1,4-diazaspiro[5.5]undecan-4-yl)-(4-methyl-1H-pyrrol-3-yl)methanone is sourced from PubChem (CID 126839749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).