(4,5-dichloro-1H-pyrrol-2-yl)-(2-ethylpiperidin-1-yl)methanone

C12H16Cl2N2O — CID 86917004

IUPAC(4,5-dichloro-1H-pyrrol-2-yl)-(2-ethylpiperidin-1-yl)methanone
SMILESCCC1CCCCN1C(=O)c1cc(Cl)c(Cl)[nH]1
InChIInChI=1S/C12H16Cl2N2O/c1-2-8-5-3-4-6-16(8)12(17)10-7-9(13)11(14)15-10/h7-8,15H,2-6H2,1H3
InChIKeyUJGVYHIGEKOKTO-UHFFFAOYSA-N
MW275.18 g/mol
LogP3.73
Rot. Bonds2

About (4,5-dichloro-1H-pyrrol-2-yl)-(2-ethylpiperidin-1-yl)methanone

(4,5-dichloro-1H-pyrrol-2-yl)-(2-ethylpiperidin-1-yl)methanone (PubChem CID 86917004) has the molecular formula C12H16Cl2N2O and a molecular weight of 275.18 g/mol. Its IUPAC name is (4,5-dichloro-1H-pyrrol-2-yl)-(2-ethylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(4,5-dichloro-1H-pyrrol-2-yl)-(2-ethylpiperidin-1-yl)methanone
PubChem CID86917004
Molecular FormulaC12H16Cl2N2O
Molecular Weight275.18 g/mol
Exact Mass274.06
IUPAC Name(4,5-dichloro-1H-pyrrol-2-yl)-(2-ethylpiperidin-1-yl)methanone
SMILESCCC1CCCCN1C(=O)c1cc(Cl)c(Cl)[nH]1
InChIInChI=1S/C12H16Cl2N2O/c1-2-8-5-3-4-6-16(8)12(17)10-7-9(13)11(14)15-10/h7-8,15H,2-6H2,1H3
InChIKeyUJGVYHIGEKOKTO-UHFFFAOYSA-N
XLogP3.73
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.18
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(4,5-dichloro-1H-pyrrol-2-yl)-[2-(methylaminomethyl)piperidin-1-yl]methanone
CID 63249128
(4,5-dichloro-1H-pyrrol-2-yl)-[2-(2-hydroxyethyl)piperidin-1-yl]methanone
CID 60741387
(4,5-dichloro-1H-pyrrol-2-yl)-[2-(3-hydroxypropyl)pyrrolidin-1-yl]methanone
CID 62468946
(2,4-dichlorophenyl)-(2-ethylpiperidin-1-yl)methanone
CID 5060806
(3,4-dichlorophenyl)-[(2S)-2-ethylpiperidin-1-yl]methanone
CID 898025
(4-amino-3,5-dichlorophenyl)-(2-ethylazepan-1-yl)methanone
CID 115869139
(2-chloro-5-hydroxyphenyl)-(2-ethylpiperidin-1-yl)methanone
CID 106501379
(2-amino-5-chloro-4-pyridinyl)-(2-ethylpiperidin-1-yl)methanone
CID 114922134
(6-amino-5-chloro-3-pyridinyl)-(2-ethylpiperidin-1-yl)methanone
CID 62155962
(4-amino-2-chlorophenyl)-(2-ethylazepan-1-yl)methanone;hydrochloride
CID 119793408
[4-[(2S)-2-ethylpiperidine-1-carbonyl]phenyl]-[(2R)-2-ethylpiperidin-1-yl]methanone
CID 1087323
(5-bromo-2-chlorophenyl)-(2-ethylazepan-1-yl)methanone
CID 113441714

Frequently Asked Questions

What is the IUPAC name of (4,5-dichloro-1H-pyrrol-2-yl)-(2-ethylpiperidin-1-yl)methanone?
The IUPAC name of (4,5-dichloro-1H-pyrrol-2-yl)-(2-ethylpiperidin-1-yl)methanone (CID 86917004) is (4,5-dichloro-1H-pyrrol-2-yl)-(2-ethylpiperidin-1-yl)methanone.
What is the SMILES notation for (4,5-dichloro-1H-pyrrol-2-yl)-(2-ethylpiperidin-1-yl)methanone?
The canonical SMILES for (4,5-dichloro-1H-pyrrol-2-yl)-(2-ethylpiperidin-1-yl)methanone is CCC1CCCCN1C(=O)c1cc(Cl)c(Cl)[nH]1.
What is the InChIKey of (4,5-dichloro-1H-pyrrol-2-yl)-(2-ethylpiperidin-1-yl)methanone?
The InChIKey is UJGVYHIGEKOKTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16Cl2N2O/c1-2-8-5-3-4-6-16(8)12(17)10-7-9(13)11(14)15-10/h7-8,15H,2-6H2,1H3.
What are the key properties of (4,5-dichloro-1H-pyrrol-2-yl)-(2-ethylpiperidin-1-yl)methanone?
(4,5-dichloro-1H-pyrrol-2-yl)-(2-ethylpiperidin-1-yl)methanone has a molecular weight of 275.18 g/mol, XLogP of 3.73, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4,5-dichloro-1H-pyrrol-2-yl)-(2-ethylpiperidin-1-yl)methanone is sourced from PubChem (CID 86917004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).