N-[(2R)-1-[4-(3-chlorophenyl)piperazin-1-yl]-1-oxopropan-2-yl]furan-2-carboxamide

C18H20ClN3O3 — CID 2576347

IUPACN-[(2R)-1-[4-(3-chlorophenyl)piperazin-1-yl]-1-oxopropan-2-yl]furan-2-carboxamide
SMILESC[C@@H](NC(=O)c1ccco1)C(=O)N1CCN(c2cccc(Cl)c2)CC1
InChIInChI=1S/C18H20ClN3O3/c1-13(20-17(23)16-6-3-11-25-16)18(24)22-9-7-21(8-10-22)15-5-2-4-14(19)12-15/h2-6,11-13H,7-10H2,1H3,(H,20,23)/t13-/m1/s1
InChIKeyLTGOOHBHKPVBFG-CYBMUJFWSA-N
MW361.83 g/mol
LogP2.40
Rot. Bonds4

About N-[(2R)-1-[4-(3-chlorophenyl)piperazin-1-yl]-1-oxopropan-2-yl]furan-2-carboxamide

N-[(2R)-1-[4-(3-chlorophenyl)piperazin-1-yl]-1-oxopropan-2-yl]furan-2-carboxamide (PubChem CID 2576347) has the molecular formula C18H20ClN3O3 and a molecular weight of 361.83 g/mol. Its IUPAC name is N-[(2R)-1-[4-(3-chlorophenyl)piperazin-1-yl]-1-oxopropan-2-yl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[(2R)-1-[4-(3-chlorophenyl)piperazin-1-yl]-1-oxopropan-2-yl]furan-2-carboxamide
PubChem CID2576347
Molecular FormulaC18H20ClN3O3
Molecular Weight361.83 g/mol
Exact Mass361.12
IUPAC NameN-[(2R)-1-[4-(3-chlorophenyl)piperazin-1-yl]-1-oxopropan-2-yl]furan-2-carboxamide
SMILESC[C@@H](NC(=O)c1ccco1)C(=O)N1CCN(c2cccc(Cl)c2)CC1
InChIInChI=1S/C18H20ClN3O3/c1-13(20-17(23)16-6-3-11-25-16)18(24)22-9-7-21(8-10-22)15-5-2-4-14(19)12-15/h2-6,11-13H,7-10H2,1H3,(H,20,23)/t13-/m1/s1
InChIKeyLTGOOHBHKPVBFG-CYBMUJFWSA-N
XLogP2.40
TPSA65.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.83
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl] (2S)-2-(furan-2-carbonylamino)propanoate
CID 8846976
N-[1-[4-(3-chlorophenyl)piperazin-1-yl]-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide
CID 46559911
N-[1-[4-(4-acetylphenyl)piperazin-1-yl]-1-oxopropan-2-yl]furan-2-carboxamide
CID 42908363
[4-(3-chlorophenyl)piperazin-1-yl]-(furan-2-yl)methanone
CID 669410
4-(3-chlorophenyl)-N-(1-oxo-1-thiomorpholin-4-ylpropan-2-yl)piperazine-1-carboxamide
CID 53368553
N-[1-[4-(3-fluorobenzoyl)piperazin-1-yl]-1-oxopropan-2-yl]furan-2-carboxamide
CID 86926583
1-[4-(3-chlorophenyl)piperazin-1-yl]-2-sulfanylpropan-1-one
CID 107020823
4-chloro-N-[1-oxo-1-(4-phenylpiperazin-1-yl)propan-2-yl]benzamide
CID 112760576
N-[(2R)-1-oxo-1-[4-[3-(trifluoromethyl)benzoyl]piperazin-1-yl]propan-2-yl]furan-2-carboxamide
CID 51954176
N-[(2S)-1-[(3-chlorophenyl)methyl-methylamino]-1-oxopropan-2-yl]furan-2-carboxamide
CID 24545173
4-[4-(3-chlorophenyl)piperazine-1-carbonyl]-N-propan-2-ylbenzamide
CID 109043128
N-[(2R)-1-oxo-1-(4-phenylpiperazin-1-yl)propan-2-yl]benzamide
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Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-[4-(3-chlorophenyl)piperazin-1-yl]-1-oxopropan-2-yl]furan-2-carboxamide?
The IUPAC name of N-[(2R)-1-[4-(3-chlorophenyl)piperazin-1-yl]-1-oxopropan-2-yl]furan-2-carboxamide (CID 2576347) is N-[(2R)-1-[4-(3-chlorophenyl)piperazin-1-yl]-1-oxopropan-2-yl]furan-2-carboxamide.
What is the SMILES notation for N-[(2R)-1-[4-(3-chlorophenyl)piperazin-1-yl]-1-oxopropan-2-yl]furan-2-carboxamide?
The canonical SMILES for N-[(2R)-1-[4-(3-chlorophenyl)piperazin-1-yl]-1-oxopropan-2-yl]furan-2-carboxamide is C[C@@H](NC(=O)c1ccco1)C(=O)N1CCN(c2cccc(Cl)c2)CC1.
What is the InChIKey of N-[(2R)-1-[4-(3-chlorophenyl)piperazin-1-yl]-1-oxopropan-2-yl]furan-2-carboxamide?
The InChIKey is LTGOOHBHKPVBFG-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H20ClN3O3/c1-13(20-17(23)16-6-3-11-25-16)18(24)22-9-7-21(8-10-22)15-5-2-4-14(19)12-15/h2-6,11-13H,7-10H2,1H3,(H,20,23)/t13-/m1/s1.
What are the key properties of N-[(2R)-1-[4-(3-chlorophenyl)piperazin-1-yl]-1-oxopropan-2-yl]furan-2-carboxamide?
N-[(2R)-1-[4-(3-chlorophenyl)piperazin-1-yl]-1-oxopropan-2-yl]furan-2-carboxamide has a molecular weight of 361.83 g/mol, XLogP of 2.40, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-1-[4-(3-chlorophenyl)piperazin-1-yl]-1-oxopropan-2-yl]furan-2-carboxamide is sourced from PubChem (CID 2576347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).