N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]-3-oxopropyl]thiophene-2-carboxamide

C19H23N3O3S — CID 18104395

IUPACN-[3-[4-(4-methoxyphenyl)piperazin-1-yl]-3-oxopropyl]thiophene-2-carboxamide
SMILESCOc1ccc(N2CCN(C(=O)CCNC(=O)c3cccs3)CC2)cc1
InChIInChI=1S/C19H23N3O3S/c1-25-16-6-4-15(5-7-16)21-10-12-22(13-11-21)18(23)8-9-20-19(24)17-3-2-14-26-17/h2-7,14H,8-13H2,1H3,(H,20,24)
InChIKeyPXIWREIOEKHWHW-UHFFFAOYSA-N
MW373.48 g/mol
LogP2.23
Rot. Bonds6

About N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]-3-oxopropyl]thiophene-2-carboxamide

N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]-3-oxopropyl]thiophene-2-carboxamide (PubChem CID 18104395) has the molecular formula C19H23N3O3S and a molecular weight of 373.48 g/mol. Its IUPAC name is N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]-3-oxopropyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[3-[4-(4-methoxyphenyl)piperazin-1-yl]-3-oxopropyl]thiophene-2-carboxamide
PubChem CID18104395
Molecular FormulaC19H23N3O3S
Molecular Weight373.48 g/mol
Exact Mass373.15
IUPAC NameN-[3-[4-(4-methoxyphenyl)piperazin-1-yl]-3-oxopropyl]thiophene-2-carboxamide
SMILESCOc1ccc(N2CCN(C(=O)CCNC(=O)c3cccs3)CC2)cc1
InChIInChI=1S/C19H23N3O3S/c1-25-16-6-4-15(5-7-16)21-10-12-22(13-11-21)18(23)8-9-20-19(24)17-3-2-14-26-17/h2-7,14H,8-13H2,1H3,(H,20,24)
InChIKeyPXIWREIOEKHWHW-UHFFFAOYSA-N
XLogP2.23
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.48
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

N-[4-[4-(4-methoxyphenyl)piperazin-1-yl]-4-oxobutyl]thiophene-2-carboxamide
CID 51180374
N-[3-(4-acetylpiperazin-1-yl)-3-oxopropyl]thiophene-2-carboxamide
CID 51180610
4-(4-methoxyphenyl)-N'-(thiophene-2-carbonyl)piperazine-1-carbohydrazide
CID 17394875
N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]-3-oxopropyl]-2,5-dimethylfuran-3-carboxamide
CID 42780031
N-[3-[(2S)-2-(4-methoxyphenyl)azepan-1-yl]-3-oxopropyl]thiophene-2-carboxamide
CID 31797256
N-[(2S)-2-(furan-2-yl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]thiophene-2-carboxamide
CID 7163049
N-[3-[4-(ethylaminomethyl)piperidin-1-yl]-3-oxopropyl]thiophene-2-carboxamide
CID 119647570
N-[3-[[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]amino]-3-oxopropyl]thiophene-2-carboxamide
CID 18152062
3-methoxy-N-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]benzamide
CID 17226023
N-[3-(3-hydroxypyrrolidin-1-yl)-3-oxopropyl]thiophene-2-carboxamide
CID 62916407
1-[4-(4-methoxyphenyl)piperazin-1-yl]-3-(2-phenylethylamino)propan-1-one
CID 109024278
N-[2-oxo-2-(4-pyridin-1-ium-4-ylpiperazin-1-yl)ethyl]thiophene-2-carboxamide
CID 9254175

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]-3-oxopropyl]thiophene-2-carboxamide?
The IUPAC name of N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]-3-oxopropyl]thiophene-2-carboxamide (CID 18104395) is N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]-3-oxopropyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]-3-oxopropyl]thiophene-2-carboxamide?
The canonical SMILES for N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]-3-oxopropyl]thiophene-2-carboxamide is COc1ccc(N2CCN(C(=O)CCNC(=O)c3cccs3)CC2)cc1.
What is the InChIKey of N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]-3-oxopropyl]thiophene-2-carboxamide?
The InChIKey is PXIWREIOEKHWHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O3S/c1-25-16-6-4-15(5-7-16)21-10-12-22(13-11-21)18(23)8-9-20-19(24)17-3-2-14-26-17/h2-7,14H,8-13H2,1H3,(H,20,24).
What are the key properties of N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]-3-oxopropyl]thiophene-2-carboxamide?
N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]-3-oxopropyl]thiophene-2-carboxamide has a molecular weight of 373.48 g/mol, XLogP of 2.23, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]-3-oxopropyl]thiophene-2-carboxamide is sourced from PubChem (CID 18104395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).