2-[4-[1-(3,5-dichlorobenzoyl)pyrrolidine-2-carbonyl]piperazin-1-yl]-N,N-diethylacetamide

C22H30Cl2N4O3 — CID 55607635

IUPAC2-[4-[1-(3,5-dichlorobenzoyl)pyrrolidine-2-carbonyl]piperazin-1-yl]-N,N-diethylacetamide
SMILESCCN(CC)C(=O)CN1CCN(C(=O)C2CCCN2C(=O)c2cc(Cl)cc(Cl)c2)CC1
InChIInChI=1S/C22H30Cl2N4O3/c1-3-26(4-2)20(29)15-25-8-10-27(11-9-25)22(31)19-6-5-7-28(19)21(30)16-12-17(23)14-18(24)13-16/h12-14,19H,3-11,15H2,1-2H3
InChIKeyLFCZQXPOGMTDFM-UHFFFAOYSA-N
MW469.41 g/mol
LogP2.61
Rot. Bonds6

About 2-[4-[1-(3,5-dichlorobenzoyl)pyrrolidine-2-carbonyl]piperazin-1-yl]-N,N-diethylacetamide

2-[4-[1-(3,5-dichlorobenzoyl)pyrrolidine-2-carbonyl]piperazin-1-yl]-N,N-diethylacetamide (PubChem CID 55607635) has the molecular formula C22H30Cl2N4O3 and a molecular weight of 469.41 g/mol. Its IUPAC name is 2-[4-[1-(3,5-dichlorobenzoyl)pyrrolidine-2-carbonyl]piperazin-1-yl]-N,N-diethylacetamide.

Molecular Properties

Compound Name2-[4-[1-(3,5-dichlorobenzoyl)pyrrolidine-2-carbonyl]piperazin-1-yl]-N,N-diethylacetamide
PubChem CID55607635
Molecular FormulaC22H30Cl2N4O3
Molecular Weight469.41 g/mol
Exact Mass468.17
IUPAC Name2-[4-[1-(3,5-dichlorobenzoyl)pyrrolidine-2-carbonyl]piperazin-1-yl]-N,N-diethylacetamide
SMILESCCN(CC)C(=O)CN1CCN(C(=O)C2CCCN2C(=O)c2cc(Cl)cc(Cl)c2)CC1
InChIInChI=1S/C22H30Cl2N4O3/c1-3-26(4-2)20(29)15-25-8-10-27(11-9-25)22(31)19-6-5-7-28(19)21(30)16-12-17(23)14-18(24)13-16/h12-14,19H,3-11,15H2,1-2H3
InChIKeyLFCZQXPOGMTDFM-UHFFFAOYSA-N
XLogP2.61
TPSA64.17 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.41
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-[1-(3,5-dichlorobenzoyl)pyrrolidine-2-carbonyl]piperazin-1-yl]-2-morpholin-4-ylethanone
CID 55608140
[1-(3,5-dichlorobenzoyl)pyrrolidin-2-yl]-[3-(methylamino)piperidin-1-yl]methanone
CID 119487679
N-[1-[1-(3,5-dichlorobenzoyl)pyrrolidine-2-carbonyl]piperidin-4-yl]acetamide
CID 49347636
[1-(3,5-dichlorobenzoyl)pyrrolidin-2-yl]-[4-(2-hydroxybenzoyl)piperazin-1-yl]methanone
CID 55850354
N,N-diethyl-2-[4-(1-propylsulfonylpyrrolidine-2-carbonyl)piperazin-1-yl]acetamide
CID 55447192
N-(cyclopropylmethyl)-2-[4-(3,5-dichlorobenzoyl)piperazin-1-yl]-N-methylacetamide
CID 87016048
methyl (2S)-1-(3,5-dichlorobenzoyl)pyrrolidine-2-carboxylate
CID 2337414
N-butyl-1-(3,5-dichlorobenzoyl)-N-methylpyrrolidine-2-carboxamide
CID 55609027
methyl (2R)-1-(3,5-dichlorobenzoyl)piperidine-2-carboxylate
CID 79833341
1-[4-[4-[1-(3,5-dichlorobenzoyl)pyrrolidine-2-carbonyl]piperazin-1-yl]-3-fluorophenyl]ethanone
CID 55607675
ethyl 1-(3-chloro-5-methylbenzoyl)piperidine-2-carboxylate
CID 80997012
(2R)-1-(3,4-difluorobenzoyl)-N,N-diethylpyrrolidine-2-carboxamide
CID 95196086

Frequently Asked Questions

What is the IUPAC name of 2-[4-[1-(3,5-dichlorobenzoyl)pyrrolidine-2-carbonyl]piperazin-1-yl]-N,N-diethylacetamide?
The IUPAC name of 2-[4-[1-(3,5-dichlorobenzoyl)pyrrolidine-2-carbonyl]piperazin-1-yl]-N,N-diethylacetamide (CID 55607635) is 2-[4-[1-(3,5-dichlorobenzoyl)pyrrolidine-2-carbonyl]piperazin-1-yl]-N,N-diethylacetamide.
What is the SMILES notation for 2-[4-[1-(3,5-dichlorobenzoyl)pyrrolidine-2-carbonyl]piperazin-1-yl]-N,N-diethylacetamide?
The canonical SMILES for 2-[4-[1-(3,5-dichlorobenzoyl)pyrrolidine-2-carbonyl]piperazin-1-yl]-N,N-diethylacetamide is CCN(CC)C(=O)CN1CCN(C(=O)C2CCCN2C(=O)c2cc(Cl)cc(Cl)c2)CC1.
What is the InChIKey of 2-[4-[1-(3,5-dichlorobenzoyl)pyrrolidine-2-carbonyl]piperazin-1-yl]-N,N-diethylacetamide?
The InChIKey is LFCZQXPOGMTDFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30Cl2N4O3/c1-3-26(4-2)20(29)15-25-8-10-27(11-9-25)22(31)19-6-5-7-28(19)21(30)16-12-17(23)14-18(24)13-16/h12-14,19H,3-11,15H2,1-2H3.
What are the key properties of 2-[4-[1-(3,5-dichlorobenzoyl)pyrrolidine-2-carbonyl]piperazin-1-yl]-N,N-diethylacetamide?
2-[4-[1-(3,5-dichlorobenzoyl)pyrrolidine-2-carbonyl]piperazin-1-yl]-N,N-diethylacetamide has a molecular weight of 469.41 g/mol, XLogP of 2.61, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[1-(3,5-dichlorobenzoyl)pyrrolidine-2-carbonyl]piperazin-1-yl]-N,N-diethylacetamide is sourced from PubChem (CID 55607635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).