1-[5-[4-[1-(2-chlorophenyl)ethyl]piperazine-1-carbonyl]-2-methyl-4-propyl-1H-pyrrol-3-yl]ethanone

C23H30ClN3O2 — CID 55830279

IUPAC1-[5-[4-[1-(2-chlorophenyl)ethyl]piperazine-1-carbonyl]-2-methyl-4-propyl-1H-pyrrol-3-yl]ethanone
SMILESCCCc1c(C(=O)N2CCN(C(C)c3ccccc3Cl)CC2)[nH]c(C)c1C(C)=O
InChIInChI=1S/C23H30ClN3O2/c1-5-8-19-21(17(4)28)15(2)25-22(19)23(29)27-13-11-26(12-14-27)16(3)18-9-6-7-10-20(18)24/h6-7,9-10,16,25H,5,8,11-14H2,1-4H3
InChIKeyXSODWTGDQSUDML-UHFFFAOYSA-N
MW415.97 g/mol
LogP4.65
Rot. Bonds6

About 1-[5-[4-[1-(2-chlorophenyl)ethyl]piperazine-1-carbonyl]-2-methyl-4-propyl-1H-pyrrol-3-yl]ethanone

1-[5-[4-[1-(2-chlorophenyl)ethyl]piperazine-1-carbonyl]-2-methyl-4-propyl-1H-pyrrol-3-yl]ethanone (PubChem CID 55830279) has the molecular formula C23H30ClN3O2 and a molecular weight of 415.97 g/mol. Its IUPAC name is 1-[5-[4-[1-(2-chlorophenyl)ethyl]piperazine-1-carbonyl]-2-methyl-4-propyl-1H-pyrrol-3-yl]ethanone.

Molecular Properties

Compound Name1-[5-[4-[1-(2-chlorophenyl)ethyl]piperazine-1-carbonyl]-2-methyl-4-propyl-1H-pyrrol-3-yl]ethanone
PubChem CID55830279
Molecular FormulaC23H30ClN3O2
Molecular Weight415.97 g/mol
Exact Mass415.20
IUPAC Name1-[5-[4-[1-(2-chlorophenyl)ethyl]piperazine-1-carbonyl]-2-methyl-4-propyl-1H-pyrrol-3-yl]ethanone
SMILESCCCc1c(C(=O)N2CCN(C(C)c3ccccc3Cl)CC2)[nH]c(C)c1C(C)=O
InChIInChI=1S/C23H30ClN3O2/c1-5-8-19-21(17(4)28)15(2)25-22(19)23(29)27-13-11-26(12-14-27)16(3)18-9-6-7-10-20(18)24/h6-7,9-10,16,25H,5,8,11-14H2,1-4H3
InChIKeyXSODWTGDQSUDML-UHFFFAOYSA-N
XLogP4.65
TPSA56.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.97
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[5-[4-[1-(2-chlorophenyl)ethyl]piperazine-1-carbonyl]-2-methyl-4-propyl-1H-pyrrol-3-yl]ethanone with MolForge

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Related Compounds

1-[5-[4-(4-chlorobenzoyl)piperazine-1-carbonyl]-2-methyl-4-propyl-1H-pyrrol-3-yl]ethanone
CID 55828446
1-[2-methyl-5-[4-(2-phenoxyethyl)piperazine-1-carbonyl]-4-propyl-1H-pyrrol-3-yl]ethanone
CID 55825026
(2-chlorophenyl)-[4-[1-(2-chlorophenyl)ethyl]piperazin-1-yl]methanone
CID 55362493
[4-[(1R)-1-(2-chlorophenyl)ethyl]piperazin-1-yl]-(2-methyl-1H-imidazol-5-yl)methanone
CID 95619699
[4-[1-(2-chlorophenyl)ethyl]piperazin-1-yl]-(2-methyl-1H-imidazol-5-yl)methanone
CID 56786100
1-[2-methyl-5-[4-[(3R)-oxolan-3-yl]piperazine-1-carbonyl]-4-propyl-1H-pyrrol-3-yl]ethanone
CID 97028010
2-amino-1-[4-[1-(2-chlorophenyl)ethyl]piperazin-1-yl]-2-methylpropan-1-one
CID 119852079
[5-(aminomethyl)furan-2-yl]-[4-[(1R)-1-(2-chlorophenyl)ethyl]piperazin-1-yl]methanone
CID 124690489
1-[2-methyl-4-propyl-5-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperazine-1-carbonyl]-1H-pyrrol-3-yl]ethanone
CID 56551616
[4-[1-(2-chlorophenyl)ethyl]piperazin-1-yl]-(furan-3-yl)methanone
CID 46579668
1-[5-(3-aminopiperidine-1-carbonyl)-2-methyl-4-propyl-1H-pyrrol-3-yl]ethanone
CID 119379882
1-[5-[(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole-5-carbonyl]-2-methyl-4-propyl-1H-pyrrol-3-yl]ethanone;hydrochloride
CID 120655497

Frequently Asked Questions

What is the IUPAC name of 1-[5-[4-[1-(2-chlorophenyl)ethyl]piperazine-1-carbonyl]-2-methyl-4-propyl-1H-pyrrol-3-yl]ethanone?
The IUPAC name of 1-[5-[4-[1-(2-chlorophenyl)ethyl]piperazine-1-carbonyl]-2-methyl-4-propyl-1H-pyrrol-3-yl]ethanone (CID 55830279) is 1-[5-[4-[1-(2-chlorophenyl)ethyl]piperazine-1-carbonyl]-2-methyl-4-propyl-1H-pyrrol-3-yl]ethanone.
What is the SMILES notation for 1-[5-[4-[1-(2-chlorophenyl)ethyl]piperazine-1-carbonyl]-2-methyl-4-propyl-1H-pyrrol-3-yl]ethanone?
The canonical SMILES for 1-[5-[4-[1-(2-chlorophenyl)ethyl]piperazine-1-carbonyl]-2-methyl-4-propyl-1H-pyrrol-3-yl]ethanone is CCCc1c(C(=O)N2CCN(C(C)c3ccccc3Cl)CC2)[nH]c(C)c1C(C)=O.
What is the InChIKey of 1-[5-[4-[1-(2-chlorophenyl)ethyl]piperazine-1-carbonyl]-2-methyl-4-propyl-1H-pyrrol-3-yl]ethanone?
The InChIKey is XSODWTGDQSUDML-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30ClN3O2/c1-5-8-19-21(17(4)28)15(2)25-22(19)23(29)27-13-11-26(12-14-27)16(3)18-9-6-7-10-20(18)24/h6-7,9-10,16,25H,5,8,11-14H2,1-4H3.
What are the key properties of 1-[5-[4-[1-(2-chlorophenyl)ethyl]piperazine-1-carbonyl]-2-methyl-4-propyl-1H-pyrrol-3-yl]ethanone?
1-[5-[4-[1-(2-chlorophenyl)ethyl]piperazine-1-carbonyl]-2-methyl-4-propyl-1H-pyrrol-3-yl]ethanone has a molecular weight of 415.97 g/mol, XLogP of 4.65, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[4-[1-(2-chlorophenyl)ethyl]piperazine-1-carbonyl]-2-methyl-4-propyl-1H-pyrrol-3-yl]ethanone is sourced from PubChem (CID 55830279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).