2-(4-chloro-1-methylpyrrole-2-carbonyl)-7-cyclopentyl-2,7-diazaspiro[4.5]decan-6-one

C19H26ClN3O2 — CID 72839620

IUPAC2-(4-chloro-1-methylpyrrole-2-carbonyl)-7-cyclopentyl-2,7-diazaspiro[4.5]decan-6-one
SMILESCn1cc(Cl)cc1C(=O)N1CCC2(CCCN(C3CCCC3)C2=O)C1
InChIInChI=1S/C19H26ClN3O2/c1-21-12-14(20)11-16(21)17(24)22-10-8-19(13-22)7-4-9-23(18(19)25)15-5-2-3-6-15/h11-12,15H,2-10,13H2,1H3
InChIKeyLDMUBAHAGVACGY-UHFFFAOYSA-N
MW363.89 g/mol
LogP3.08
Rot. Bonds2

About 2-(4-chloro-1-methylpyrrole-2-carbonyl)-7-cyclopentyl-2,7-diazaspiro[4.5]decan-6-one

2-(4-chloro-1-methylpyrrole-2-carbonyl)-7-cyclopentyl-2,7-diazaspiro[4.5]decan-6-one (PubChem CID 72839620) has the molecular formula C19H26ClN3O2 and a molecular weight of 363.89 g/mol. Its IUPAC name is 2-(4-chloro-1-methylpyrrole-2-carbonyl)-7-cyclopentyl-2,7-diazaspiro[4.5]decan-6-one.

Molecular Properties

Compound Name2-(4-chloro-1-methylpyrrole-2-carbonyl)-7-cyclopentyl-2,7-diazaspiro[4.5]decan-6-one
PubChem CID72839620
Molecular FormulaC19H26ClN3O2
Molecular Weight363.89 g/mol
Exact Mass363.17
IUPAC Name2-(4-chloro-1-methylpyrrole-2-carbonyl)-7-cyclopentyl-2,7-diazaspiro[4.5]decan-6-one
SMILESCn1cc(Cl)cc1C(=O)N1CCC2(CCCN(C3CCCC3)C2=O)C1
InChIInChI=1S/C19H26ClN3O2/c1-21-12-14(20)11-16(21)17(24)22-10-8-19(13-22)7-4-9-23(18(19)25)15-5-2-3-6-15/h11-12,15H,2-10,13H2,1H3
InChIKeyLDMUBAHAGVACGY-UHFFFAOYSA-N
XLogP3.08
TPSA45.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.89
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

7-Cyclohexyl-1-(pyridine-2-carbonyl)-1,7-diazaspiro[4.4]nonan-6-one
CID 24758977
(1-methylpyrrol-2-yl)-[(5S)-2-phenyl-2,7-diazaspiro[4.5]decan-7-yl]methanone
CID 3233085
[(5S)-2-benzyl-2,7-diazaspiro[4.5]decan-7-yl]-(1-methylpyrrol-2-yl)methanone
CID 3234582
(5R)-9-(1-methylpyrrole-2-carbonyl)-N-propan-2-yl-2,9-diazaspiro[4.5]decane-2-carboxamide
CID 3233298
(2-Methyl-2,9-diazaspiro[5.5]undecan-9-yl)-(1-methylpyrrol-2-yl)methanone
CID 3234238
[(5S)-2-methyl-2,7-diazaspiro[4.5]decan-7-yl]-(1-methylpyrrol-2-yl)methanone
CID 3234289
(4-Benzyl-1,4-diazepan-1-yl)-(4-chloro-1-methylpyrrol-2-yl)methanone
CID 33613862
4-chloro-N-[(1-ethylpiperidin-4-yl)methyl]-1H-pyrrole-2-carboxamide
CID 47387088
2-[(4-chloro-1-methyl-1H-pyrrol-2-yl)carbonyl]-7-(cyclobutylmethyl)-2,7-diazaspiro[4.5]decan-6-one
CID 72846848
5-{[7-(cyclobutylmethyl)-6-oxo-2,7-diazaspiro[4.5]dec-2-yl]carbonyl}-1-methyl-1H-pyrrole-3-carbonitrile
CID 72870546
2-[(4-chloro-1-methyl-1H-pyrrol-2-yl)carbonyl]-7-(cyclopropylmethyl)-2,7-diazaspiro[4.5]decan-6-one
CID 72911973
7-(cyclobutylmethyl)-2-[(1-methyl-1H-pyrrol-2-yl)carbonyl]-2,7-diazaspiro[4.5]decan-6-one
CID 72916006

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-1-methylpyrrole-2-carbonyl)-7-cyclopentyl-2,7-diazaspiro[4.5]decan-6-one?
The IUPAC name of 2-(4-chloro-1-methylpyrrole-2-carbonyl)-7-cyclopentyl-2,7-diazaspiro[4.5]decan-6-one (CID 72839620) is 2-(4-chloro-1-methylpyrrole-2-carbonyl)-7-cyclopentyl-2,7-diazaspiro[4.5]decan-6-one.
What is the SMILES notation for 2-(4-chloro-1-methylpyrrole-2-carbonyl)-7-cyclopentyl-2,7-diazaspiro[4.5]decan-6-one?
The canonical SMILES for 2-(4-chloro-1-methylpyrrole-2-carbonyl)-7-cyclopentyl-2,7-diazaspiro[4.5]decan-6-one is Cn1cc(Cl)cc1C(=O)N1CCC2(CCCN(C3CCCC3)C2=O)C1.
What is the InChIKey of 2-(4-chloro-1-methylpyrrole-2-carbonyl)-7-cyclopentyl-2,7-diazaspiro[4.5]decan-6-one?
The InChIKey is LDMUBAHAGVACGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26ClN3O2/c1-21-12-14(20)11-16(21)17(24)22-10-8-19(13-22)7-4-9-23(18(19)25)15-5-2-3-6-15/h11-12,15H,2-10,13H2,1H3.
What are the key properties of 2-(4-chloro-1-methylpyrrole-2-carbonyl)-7-cyclopentyl-2,7-diazaspiro[4.5]decan-6-one?
2-(4-chloro-1-methylpyrrole-2-carbonyl)-7-cyclopentyl-2,7-diazaspiro[4.5]decan-6-one has a molecular weight of 363.89 g/mol, XLogP of 3.08, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-1-methylpyrrole-2-carbonyl)-7-cyclopentyl-2,7-diazaspiro[4.5]decan-6-one is sourced from PubChem (CID 72839620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).