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

C22H28Cl2N4O4 — CID 55608140

IUPAC1-[4-[1-(3,5-dichlorobenzoyl)pyrrolidine-2-carbonyl]piperazin-1-yl]-2-morpholin-4-ylethanone
SMILESO=C(CN1CCOCC1)N1CCN(C(=O)C2CCCN2C(=O)c2cc(Cl)cc(Cl)c2)CC1
InChIInChI=1S/C22H28Cl2N4O4/c23-17-12-16(13-18(24)14-17)21(30)28-3-1-2-19(28)22(31)27-6-4-26(5-7-27)20(29)15-25-8-10-32-11-9-25/h12-14,19H,1-11,15H2
InChIKeyIPCPVYWOBHGEMV-UHFFFAOYSA-N
MW483.40 g/mol
LogP1.60
Rot. Bonds4

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

1-[4-[1-(3,5-dichlorobenzoyl)pyrrolidine-2-carbonyl]piperazin-1-yl]-2-morpholin-4-ylethanone (PubChem CID 55608140) has the molecular formula C22H28Cl2N4O4 and a molecular weight of 483.40 g/mol. Its IUPAC name is 1-[4-[1-(3,5-dichlorobenzoyl)pyrrolidine-2-carbonyl]piperazin-1-yl]-2-morpholin-4-ylethanone.

Molecular Properties

Compound Name1-[4-[1-(3,5-dichlorobenzoyl)pyrrolidine-2-carbonyl]piperazin-1-yl]-2-morpholin-4-ylethanone
PubChem CID55608140
Molecular FormulaC22H28Cl2N4O4
Molecular Weight483.40 g/mol
Exact Mass482.15
IUPAC Name1-[4-[1-(3,5-dichlorobenzoyl)pyrrolidine-2-carbonyl]piperazin-1-yl]-2-morpholin-4-ylethanone
SMILESO=C(CN1CCOCC1)N1CCN(C(=O)C2CCCN2C(=O)c2cc(Cl)cc(Cl)c2)CC1
InChIInChI=1S/C22H28Cl2N4O4/c23-17-12-16(13-18(24)14-17)21(30)28-3-1-2-19(28)22(31)27-6-4-26(5-7-27)20(29)15-25-8-10-32-11-9-25/h12-14,19H,1-11,15H2
InChIKeyIPCPVYWOBHGEMV-UHFFFAOYSA-N
XLogP1.60
TPSA73.40 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.40
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-[4-[1-(3,5-dichlorobenzoyl)pyrrolidine-2-carbonyl]piperazin-1-yl]-2-morpholin-4-ylethanone with MolForge

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Related Compounds

2-[4-[1-(3,5-dichlorobenzoyl)pyrrolidine-2-carbonyl]piperazin-1-yl]-N,N-diethylacetamide
CID 55607635
1-[4-[(2R)-1-(1-hydroxynaphthalene-2-carbonyl)pyrrolidine-2-carbonyl]piperazin-1-yl]-2-morpholin-4-ylethanone
CID 95342823
1-(3,5-dichlorobenzoyl)-N-(1-morpholin-4-ylpropan-2-yl)pyrrolidine-2-carboxamide
CID 55723327
1-[4-[1-(adamantane-1-carbonyl)pyrrolidine-2-carbonyl]piperazin-1-yl]-2-morpholin-4-ylethanone
CID 55496847
[1-(3,5-dichlorobenzoyl)pyrrolidin-2-yl]-[4-(2-hydroxybenzoyl)piperazin-1-yl]methanone
CID 55850354
N-[1-[1-(3,5-dichlorobenzoyl)pyrrolidine-2-carbonyl]piperidin-4-yl]acetamide
CID 49347636
[1-(3,5-dichlorobenzoyl)pyrrolidin-2-yl]-[3-(methylamino)piperidin-1-yl]methanone
CID 119487679
1-(4-chlorophenyl)-4-[(2S)-2-(morpholine-4-carbonyl)pyrrolidin-1-yl]butane-1,4-dione
CID 110305907
[(2S)-1-(3-fluorobenzoyl)pyrrolidin-2-yl]-morpholin-4-ylmethanone
CID 110285997
methyl (2S)-1-(3,5-dichlorobenzoyl)pyrrolidine-2-carboxylate
CID 2337414
1-[4-[4-[1-(3,5-dichlorobenzoyl)pyrrolidine-2-carbonyl]piperazin-1-yl]-3-fluorophenyl]ethanone
CID 55607675
[1-(furan-3-carbonyl)piperidin-2-yl]-morpholin-4-ylmethanone
CID 4089666

Frequently Asked Questions

What is the IUPAC name of 1-[4-[1-(3,5-dichlorobenzoyl)pyrrolidine-2-carbonyl]piperazin-1-yl]-2-morpholin-4-ylethanone?
The IUPAC name of 1-[4-[1-(3,5-dichlorobenzoyl)pyrrolidine-2-carbonyl]piperazin-1-yl]-2-morpholin-4-ylethanone (CID 55608140) is 1-[4-[1-(3,5-dichlorobenzoyl)pyrrolidine-2-carbonyl]piperazin-1-yl]-2-morpholin-4-ylethanone.
What is the SMILES notation for 1-[4-[1-(3,5-dichlorobenzoyl)pyrrolidine-2-carbonyl]piperazin-1-yl]-2-morpholin-4-ylethanone?
The canonical SMILES for 1-[4-[1-(3,5-dichlorobenzoyl)pyrrolidine-2-carbonyl]piperazin-1-yl]-2-morpholin-4-ylethanone is O=C(CN1CCOCC1)N1CCN(C(=O)C2CCCN2C(=O)c2cc(Cl)cc(Cl)c2)CC1.
What is the InChIKey of 1-[4-[1-(3,5-dichlorobenzoyl)pyrrolidine-2-carbonyl]piperazin-1-yl]-2-morpholin-4-ylethanone?
The InChIKey is IPCPVYWOBHGEMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28Cl2N4O4/c23-17-12-16(13-18(24)14-17)21(30)28-3-1-2-19(28)22(31)27-6-4-26(5-7-27)20(29)15-25-8-10-32-11-9-25/h12-14,19H,1-11,15H2.
What are the key properties of 1-[4-[1-(3,5-dichlorobenzoyl)pyrrolidine-2-carbonyl]piperazin-1-yl]-2-morpholin-4-ylethanone?
1-[4-[1-(3,5-dichlorobenzoyl)pyrrolidine-2-carbonyl]piperazin-1-yl]-2-morpholin-4-ylethanone has a molecular weight of 483.40 g/mol, XLogP of 1.60, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[1-(3,5-dichlorobenzoyl)pyrrolidine-2-carbonyl]piperazin-1-yl]-2-morpholin-4-ylethanone is sourced from PubChem (CID 55608140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).