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

C22H26ClN3O3 — CID 55828446

IUPAC1-[5-[4-(4-chlorobenzoyl)piperazine-1-carbonyl]-2-methyl-4-propyl-1H-pyrrol-3-yl]ethanone
SMILESCCCc1c(C(=O)N2CCN(C(=O)c3ccc(Cl)cc3)CC2)[nH]c(C)c1C(C)=O
InChIInChI=1S/C22H26ClN3O3/c1-4-5-18-19(15(3)27)14(2)24-20(18)22(29)26-12-10-25(11-13-26)21(28)16-6-8-17(23)9-7-16/h6-9,24H,4-5,10-13H2,1-3H3
InChIKeyYUZSQLNFWDPXDK-UHFFFAOYSA-N
MW415.92 g/mol
LogP3.73
Rot. Bonds5

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

1-[5-[4-(4-chlorobenzoyl)piperazine-1-carbonyl]-2-methyl-4-propyl-1H-pyrrol-3-yl]ethanone (PubChem CID 55828446) has the molecular formula C22H26ClN3O3 and a molecular weight of 415.92 g/mol. Its IUPAC name is 1-[5-[4-(4-chlorobenzoyl)piperazine-1-carbonyl]-2-methyl-4-propyl-1H-pyrrol-3-yl]ethanone.

Molecular Properties

Compound Name1-[5-[4-(4-chlorobenzoyl)piperazine-1-carbonyl]-2-methyl-4-propyl-1H-pyrrol-3-yl]ethanone
PubChem CID55828446
Molecular FormulaC22H26ClN3O3
Molecular Weight415.92 g/mol
Exact Mass415.17
IUPAC Name1-[5-[4-(4-chlorobenzoyl)piperazine-1-carbonyl]-2-methyl-4-propyl-1H-pyrrol-3-yl]ethanone
SMILESCCCc1c(C(=O)N2CCN(C(=O)c3ccc(Cl)cc3)CC2)[nH]c(C)c1C(C)=O
InChIInChI=1S/C22H26ClN3O3/c1-4-5-18-19(15(3)27)14(2)24-20(18)22(29)26-12-10-25(11-13-26)21(28)16-6-8-17(23)9-7-16/h6-9,24H,4-5,10-13H2,1-3H3
InChIKeyYUZSQLNFWDPXDK-UHFFFAOYSA-N
XLogP3.73
TPSA73.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.92
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

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Related Compounds

1-(4-acetyl-5-methyl-3-propyl-1H-pyrrole-2-carbonyl)-N-(5-chloro-2-pyridinyl)piperidine-4-carboxamide
CID 55924033
1-[2-methyl-5-[4-(2-phenoxyethyl)piperazine-1-carbonyl]-4-propyl-1H-pyrrol-3-yl]ethanone
CID 55825026
1-[5-[4-[(4-chlorophenyl)methyl]piperazine-1-carbonyl]-2,4-dimethyl-1H-pyrrol-3-yl]ethanone
CID 17396714
1-[2-methyl-5-[4-[(3R)-oxolan-3-yl]piperazine-1-carbonyl]-4-propyl-1H-pyrrol-3-yl]ethanone
CID 97028010
1-[5-(3-aminopiperidine-1-carbonyl)-2-methyl-4-propyl-1H-pyrrol-3-yl]ethanone
CID 119379882
1-[5-[4-(3,5-dichlorobenzoyl)piperazine-1-carbonyl]-2,4-dimethyl-1H-pyrrol-3-yl]ethanone
CID 55558489
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
1-[5-(3,9-diazabicyclo[4.2.1]nonane-3-carbonyl)-2-methyl-4-propyl-1H-pyrrol-3-yl]ethanone
CID 119637574
1-[2-methyl-4-propyl-5-(4-thieno[2,3-d]pyrimidin-4-ylpiperazine-1-carbonyl)-1H-pyrrol-3-yl]ethanone
CID 112839829
1-[5-(4-benzoylpiperazine-1-carbonyl)-2,4-dimethyl-1H-pyrrol-3-yl]ethanone
CID 4800505
1-[5-[4-(cyclopropylmethylamino)piperidine-1-carbonyl]-2-methyl-4-propyl-1H-pyrrol-3-yl]ethanone;hydrochloride
CID 119623871
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

Frequently Asked Questions

What is the IUPAC name of 1-[5-[4-(4-chlorobenzoyl)piperazine-1-carbonyl]-2-methyl-4-propyl-1H-pyrrol-3-yl]ethanone?
The IUPAC name of 1-[5-[4-(4-chlorobenzoyl)piperazine-1-carbonyl]-2-methyl-4-propyl-1H-pyrrol-3-yl]ethanone (CID 55828446) is 1-[5-[4-(4-chlorobenzoyl)piperazine-1-carbonyl]-2-methyl-4-propyl-1H-pyrrol-3-yl]ethanone.
What is the SMILES notation for 1-[5-[4-(4-chlorobenzoyl)piperazine-1-carbonyl]-2-methyl-4-propyl-1H-pyrrol-3-yl]ethanone?
The canonical SMILES for 1-[5-[4-(4-chlorobenzoyl)piperazine-1-carbonyl]-2-methyl-4-propyl-1H-pyrrol-3-yl]ethanone is CCCc1c(C(=O)N2CCN(C(=O)c3ccc(Cl)cc3)CC2)[nH]c(C)c1C(C)=O.
What is the InChIKey of 1-[5-[4-(4-chlorobenzoyl)piperazine-1-carbonyl]-2-methyl-4-propyl-1H-pyrrol-3-yl]ethanone?
The InChIKey is YUZSQLNFWDPXDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26ClN3O3/c1-4-5-18-19(15(3)27)14(2)24-20(18)22(29)26-12-10-25(11-13-26)21(28)16-6-8-17(23)9-7-16/h6-9,24H,4-5,10-13H2,1-3H3.
What are the key properties of 1-[5-[4-(4-chlorobenzoyl)piperazine-1-carbonyl]-2-methyl-4-propyl-1H-pyrrol-3-yl]ethanone?
1-[5-[4-(4-chlorobenzoyl)piperazine-1-carbonyl]-2-methyl-4-propyl-1H-pyrrol-3-yl]ethanone has a molecular weight of 415.92 g/mol, XLogP of 3.73, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[4-(4-chlorobenzoyl)piperazine-1-carbonyl]-2-methyl-4-propyl-1H-pyrrol-3-yl]ethanone is sourced from PubChem (CID 55828446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).