N-[1-[2-(3-chlorophenyl)piperazin-1-yl]-1-oxopropan-2-yl]furan-3-carboxamide;hydrochloride

C18H21Cl2N3O3 — CID 120802115

IUPACN-[1-[2-(3-chlorophenyl)piperazin-1-yl]-1-oxopropan-2-yl]furan-3-carboxamide;hydrochloride
SMILESCC(NC(=O)c1ccoc1)C(=O)N1CCNCC1c1cccc(Cl)c1.Cl
InChIInChI=1S/C18H20ClN3O3.ClH/c1-12(21-17(23)14-5-8-25-11-14)18(24)22-7-6-20-10-16(22)13-3-2-4-15(19)9-13;/h2-5,8-9,11-12,16,20H,6-7,10H2,1H3,(H,21,23);1H
InChIKeyZZSLWIPKRQRYQO-UHFFFAOYSA-N
MW398.29 g/mol
LogP2.65
Rot. Bonds4

About N-[1-[2-(3-chlorophenyl)piperazin-1-yl]-1-oxopropan-2-yl]furan-3-carboxamide;hydrochloride

N-[1-[2-(3-chlorophenyl)piperazin-1-yl]-1-oxopropan-2-yl]furan-3-carboxamide;hydrochloride (PubChem CID 120802115) has the molecular formula C18H21Cl2N3O3 and a molecular weight of 398.29 g/mol. Its IUPAC name is N-[1-[2-(3-chlorophenyl)piperazin-1-yl]-1-oxopropan-2-yl]furan-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[1-[2-(3-chlorophenyl)piperazin-1-yl]-1-oxopropan-2-yl]furan-3-carboxamide;hydrochloride
PubChem CID120802115
Molecular FormulaC18H21Cl2N3O3
Molecular Weight398.29 g/mol
Exact Mass397.10
IUPAC NameN-[1-[2-(3-chlorophenyl)piperazin-1-yl]-1-oxopropan-2-yl]furan-3-carboxamide;hydrochloride
SMILESCC(NC(=O)c1ccoc1)C(=O)N1CCNCC1c1cccc(Cl)c1.Cl
InChIInChI=1S/C18H20ClN3O3.ClH/c1-12(21-17(23)14-5-8-25-11-14)18(24)22-7-6-20-10-16(22)13-3-2-4-15(19)9-13;/h2-5,8-9,11-12,16,20H,6-7,10H2,1H3,(H,21,23);1H
InChIKeyZZSLWIPKRQRYQO-UHFFFAOYSA-N
XLogP2.65
TPSA74.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.29
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-[2-(3-chlorophenyl)piperazin-1-yl]-1-oxopropan-2-yl]cyclopentanecarboxamide
CID 120801926
1-[2-(3-chlorophenyl)piperazin-1-yl]-2-methoxypropan-1-one
CID 120803481
1-[2-(3-chlorophenyl)piperazin-1-yl]-4-methylpentan-1-one;hydrochloride
CID 120802381
1-[2-(3-chlorophenyl)piperazin-1-yl]-2-methylpentan-1-one
CID 120802410
N-[1-[2-(3-fluorophenyl)piperazin-1-yl]-1-oxopropan-2-yl]acetamide
CID 120737082
1-[2-(3-chlorophenyl)piperazin-1-yl]-2-(3-methoxyphenyl)propan-1-one;hydrochloride
CID 120802085
N-[1-[2-(4-ethylphenyl)piperazin-1-yl]-1-oxopropan-2-yl]benzamide;hydrochloride
CID 120740327
1-[2-(3-chlorophenyl)piperazin-1-yl]-4,4-dimethylpentan-1-one;hydrochloride
CID 120803430
1-[2-(3-chlorophenyl)piperazin-1-yl]-2-pyridin-3-ylpropan-1-one
CID 120803381
1-[2-(3-chlorophenyl)piperazin-1-yl]-2-(3-methoxyphenyl)propan-1-one
CID 120802086
1-[2-(3-chlorophenyl)piperazin-1-yl]-2-phenylmethoxypropan-1-one
CID 120802542
N-butan-2-yl-2-[2-(3-chlorophenyl)piperazin-1-yl]acetamide
CID 120770817

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(3-chlorophenyl)piperazin-1-yl]-1-oxopropan-2-yl]furan-3-carboxamide;hydrochloride?
The IUPAC name of N-[1-[2-(3-chlorophenyl)piperazin-1-yl]-1-oxopropan-2-yl]furan-3-carboxamide;hydrochloride (CID 120802115) is N-[1-[2-(3-chlorophenyl)piperazin-1-yl]-1-oxopropan-2-yl]furan-3-carboxamide;hydrochloride.
What is the SMILES notation for N-[1-[2-(3-chlorophenyl)piperazin-1-yl]-1-oxopropan-2-yl]furan-3-carboxamide;hydrochloride?
The canonical SMILES for N-[1-[2-(3-chlorophenyl)piperazin-1-yl]-1-oxopropan-2-yl]furan-3-carboxamide;hydrochloride is CC(NC(=O)c1ccoc1)C(=O)N1CCNCC1c1cccc(Cl)c1.Cl.
What is the InChIKey of N-[1-[2-(3-chlorophenyl)piperazin-1-yl]-1-oxopropan-2-yl]furan-3-carboxamide;hydrochloride?
The InChIKey is ZZSLWIPKRQRYQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClN3O3.ClH/c1-12(21-17(23)14-5-8-25-11-14)18(24)22-7-6-20-10-16(22)13-3-2-4-15(19)9-13;/h2-5,8-9,11-12,16,20H,6-7,10H2,1H3,(H,21,23);1H.
What are the key properties of N-[1-[2-(3-chlorophenyl)piperazin-1-yl]-1-oxopropan-2-yl]furan-3-carboxamide;hydrochloride?
N-[1-[2-(3-chlorophenyl)piperazin-1-yl]-1-oxopropan-2-yl]furan-3-carboxamide;hydrochloride has a molecular weight of 398.29 g/mol, XLogP of 2.65, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(3-chlorophenyl)piperazin-1-yl]-1-oxopropan-2-yl]furan-3-carboxamide;hydrochloride is sourced from PubChem (CID 120802115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).