1-(3,4-dichlorobenzoyl)-N-(2-piperazin-1-ylethyl)pyrrolidine-2-carboxamide

C18H24Cl2N4O2 — CID 119448407

IUPAC1-(3,4-dichlorobenzoyl)-N-(2-piperazin-1-ylethyl)pyrrolidine-2-carboxamide
SMILESO=C(NCCN1CCNCC1)C1CCCN1C(=O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C18H24Cl2N4O2/c19-14-4-3-13(12-15(14)20)18(26)24-8-1-2-16(24)17(25)22-7-11-23-9-5-21-6-10-23/h3-4,12,16,21H,1-2,5-11H2,(H,22,25)
InChIKeyRNBIMFNMEWQCFJ-UHFFFAOYSA-N
MW399.32 g/mol
LogP1.62
Rot. Bonds5

About 1-(3,4-dichlorobenzoyl)-N-(2-piperazin-1-ylethyl)pyrrolidine-2-carboxamide

1-(3,4-dichlorobenzoyl)-N-(2-piperazin-1-ylethyl)pyrrolidine-2-carboxamide (PubChem CID 119448407) has the molecular formula C18H24Cl2N4O2 and a molecular weight of 399.32 g/mol. Its IUPAC name is 1-(3,4-dichlorobenzoyl)-N-(2-piperazin-1-ylethyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-(3,4-dichlorobenzoyl)-N-(2-piperazin-1-ylethyl)pyrrolidine-2-carboxamide
PubChem CID119448407
Molecular FormulaC18H24Cl2N4O2
Molecular Weight399.32 g/mol
Exact Mass398.13
IUPAC Name1-(3,4-dichlorobenzoyl)-N-(2-piperazin-1-ylethyl)pyrrolidine-2-carboxamide
SMILESO=C(NCCN1CCNCC1)C1CCCN1C(=O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C18H24Cl2N4O2/c19-14-4-3-13(12-15(14)20)18(26)24-8-1-2-16(24)17(25)22-7-11-23-9-5-21-6-10-23/h3-4,12,16,21H,1-2,5-11H2,(H,22,25)
InChIKeyRNBIMFNMEWQCFJ-UHFFFAOYSA-N
XLogP1.62
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.32
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[1-(3,4-dichlorobenzoyl)pyrrolidine-2-carbonyl]amino]propanoic acid
CID 119351543
1-(3,4-dichlorobenzoyl)-N-[2-(methylamino)ethyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119503508
(2S)-N-(2-benzamidoethyl)-1-(3,4-dichlorobenzoyl)pyrrolidine-2-carboxamide
CID 51066683
1-(3,4-dichlorobenzoyl)-N-pyrrolidin-3-ylpyrrolidine-2-carboxamide
CID 119453399
N-[2-(azepan-1-yl)ethyl]-1-(3,4-dichlorobenzoyl)piperidine-3-carboxamide
CID 55632873
(2S)-1-(3,4-dichlorobenzoyl)pyrrolidine-2-carboxylic acid
CID 822734
1-(5-nitrothiophene-2-carbonyl)-N-(2-piperazin-1-ylethyl)pyrrolidine-2-carboxamide;hydrochloride
CID 119445780
1-acetyl-N-[2-[(3,4-dichlorobenzoyl)amino]ethyl]pyrrolidine-2-carboxamide
CID 78868255
1-(3,4-dichlorobenzoyl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyrrolidine-2-carboxamide
CID 167790919
(2S)-1-(3,4-dichlorobenzoyl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)pyrrolidine-2-carboxamide
CID 51938354
1-[1-(3,4-dichlorobenzoyl)pyrrolidine-2-carbonyl]-1,4-diazepan-5-one
CID 136579470
(2S)-1-(3,4-dichlorobenzoyl)-N-pyridin-3-ylpyrrolidine-2-carboxamide
CID 51937768

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dichlorobenzoyl)-N-(2-piperazin-1-ylethyl)pyrrolidine-2-carboxamide?
The IUPAC name of 1-(3,4-dichlorobenzoyl)-N-(2-piperazin-1-ylethyl)pyrrolidine-2-carboxamide (CID 119448407) is 1-(3,4-dichlorobenzoyl)-N-(2-piperazin-1-ylethyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-(3,4-dichlorobenzoyl)-N-(2-piperazin-1-ylethyl)pyrrolidine-2-carboxamide?
The canonical SMILES for 1-(3,4-dichlorobenzoyl)-N-(2-piperazin-1-ylethyl)pyrrolidine-2-carboxamide is O=C(NCCN1CCNCC1)C1CCCN1C(=O)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 1-(3,4-dichlorobenzoyl)-N-(2-piperazin-1-ylethyl)pyrrolidine-2-carboxamide?
The InChIKey is RNBIMFNMEWQCFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24Cl2N4O2/c19-14-4-3-13(12-15(14)20)18(26)24-8-1-2-16(24)17(25)22-7-11-23-9-5-21-6-10-23/h3-4,12,16,21H,1-2,5-11H2,(H,22,25).
What are the key properties of 1-(3,4-dichlorobenzoyl)-N-(2-piperazin-1-ylethyl)pyrrolidine-2-carboxamide?
1-(3,4-dichlorobenzoyl)-N-(2-piperazin-1-ylethyl)pyrrolidine-2-carboxamide has a molecular weight of 399.32 g/mol, XLogP of 1.62, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dichlorobenzoyl)-N-(2-piperazin-1-ylethyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 119448407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).