N-[2-[4-(4-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-2-pyrrolidin-2-ylacetamide;dihydrochloride

C18H27Cl3N4O2 — CID 119871513

IUPACN-[2-[4-(4-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-2-pyrrolidin-2-ylacetamide;dihydrochloride
SMILESCl.Cl.O=C(CC1CCCN1)NCC(=O)N1CCN(c2ccc(Cl)cc2)CC1
InChIInChI=1S/C18H25ClN4O2.2ClH/c19-14-3-5-16(6-4-14)22-8-10-23(11-9-22)18(25)13-21-17(24)12-15-2-1-7-20-15;;/h3-6,15,20H,1-2,7-13H2,(H,21,24);2*1H
InChIKeyZGLUXLUPCGPORA-UHFFFAOYSA-N
MW437.80 g/mol
LogP2.09
Rot. Bonds5

About N-[2-[4-(4-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-2-pyrrolidin-2-ylacetamide;dihydrochloride

N-[2-[4-(4-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-2-pyrrolidin-2-ylacetamide;dihydrochloride (PubChem CID 119871513) has the molecular formula C18H27Cl3N4O2 and a molecular weight of 437.80 g/mol. Its IUPAC name is N-[2-[4-(4-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-2-pyrrolidin-2-ylacetamide;dihydrochloride.

Molecular Properties

Compound NameN-[2-[4-(4-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-2-pyrrolidin-2-ylacetamide;dihydrochloride
PubChem CID119871513
Molecular FormulaC18H27Cl3N4O2
Molecular Weight437.80 g/mol
Exact Mass436.12
IUPAC NameN-[2-[4-(4-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-2-pyrrolidin-2-ylacetamide;dihydrochloride
SMILESCl.Cl.O=C(CC1CCCN1)NCC(=O)N1CCN(c2ccc(Cl)cc2)CC1
InChIInChI=1S/C18H25ClN4O2.2ClH/c19-14-3-5-16(6-4-14)22-8-10-23(11-9-22)18(25)13-21-17(24)12-15-2-1-7-20-15;;/h3-6,15,20H,1-2,7-13H2,(H,21,24);2*1H
InChIKeyZGLUXLUPCGPORA-UHFFFAOYSA-N
XLogP2.09
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.80
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-N-[2-[4-(4-chlorophenyl)piperazin-1-yl]-2-oxoethyl]piperidine-2-carboxamide;dihydrochloride
CID 119871472
4-amino-N-[2-[4-(4-chlorophenyl)piperazin-1-yl]-2-oxoethyl]butanamide;dihydrochloride
CID 119871517
N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-2-thiomorpholin-3-ylacetamide;dihydrochloride
CID 119941711
N-[2-[[2-[4-(4-chlorophenyl)piperazin-1-yl]-2-oxoethyl]amino]-2-oxoethyl]propanamide
CID 51131186
N-[2-[4-(4-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-2-methylsulfanylacetamide
CID 51103918
N-[(4-chlorophenyl)methyl]-2-pyrrolidin-2-ylacetamide
CID 61372532
4-amino-N-[2-[4-(4-chlorophenyl)piperazin-1-yl]-2-oxoethyl]pentanamide;dihydrochloride
CID 120565211
N-(4-chlorophenyl)-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119671239
7-amino-N-[2-[4-(4-chlorophenyl)piperazin-1-yl]-2-oxoethyl]heptanamide
CID 119871471
1-[4-[(4-chlorophenyl)methyl]-1,4-diazepan-1-yl]-2-pyrrolidin-2-ylethanone;dihydrochloride
CID 119839003
N-[2-(4-phenylpiperazin-1-yl)propyl]-2-pyrrolidin-2-ylacetamide
CID 119902110
1-[4-(4-chlorophenyl)piperazin-1-yl]-2-piperidin-4-ylethanone
CID 119843563

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(4-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-2-pyrrolidin-2-ylacetamide;dihydrochloride?
The IUPAC name of N-[2-[4-(4-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-2-pyrrolidin-2-ylacetamide;dihydrochloride (CID 119871513) is N-[2-[4-(4-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-2-pyrrolidin-2-ylacetamide;dihydrochloride.
What is the SMILES notation for N-[2-[4-(4-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-2-pyrrolidin-2-ylacetamide;dihydrochloride?
The canonical SMILES for N-[2-[4-(4-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-2-pyrrolidin-2-ylacetamide;dihydrochloride is Cl.Cl.O=C(CC1CCCN1)NCC(=O)N1CCN(c2ccc(Cl)cc2)CC1.
What is the InChIKey of N-[2-[4-(4-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-2-pyrrolidin-2-ylacetamide;dihydrochloride?
The InChIKey is ZGLUXLUPCGPORA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25ClN4O2.2ClH/c19-14-3-5-16(6-4-14)22-8-10-23(11-9-22)18(25)13-21-17(24)12-15-2-1-7-20-15;;/h3-6,15,20H,1-2,7-13H2,(H,21,24);2*1H.
What are the key properties of N-[2-[4-(4-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-2-pyrrolidin-2-ylacetamide;dihydrochloride?
N-[2-[4-(4-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-2-pyrrolidin-2-ylacetamide;dihydrochloride has a molecular weight of 437.80 g/mol, XLogP of 2.09, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(4-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-2-pyrrolidin-2-ylacetamide;dihydrochloride is sourced from PubChem (CID 119871513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).