N-[3-oxo-3-[4-(2-phenoxyethyl)piperazin-1-yl]propyl]thiophene-3-carboxamide

C20H25N3O3S — CID 18114940

IUPACN-[3-oxo-3-[4-(2-phenoxyethyl)piperazin-1-yl]propyl]thiophene-3-carboxamide
SMILESO=C(NCCC(=O)N1CCN(CCOc2ccccc2)CC1)c1ccsc1
InChIInChI=1S/C20H25N3O3S/c24-19(6-8-21-20(25)17-7-15-27-16-17)23-11-9-22(10-12-23)13-14-26-18-4-2-1-3-5-18/h1-5,7,15-16H,6,8-14H2,(H,21,25)
InChIKeyZMRGRZYDPZQBGZ-UHFFFAOYSA-N
MW387.50 g/mol
LogP2.09
Rot. Bonds8

About N-[3-oxo-3-[4-(2-phenoxyethyl)piperazin-1-yl]propyl]thiophene-3-carboxamide

N-[3-oxo-3-[4-(2-phenoxyethyl)piperazin-1-yl]propyl]thiophene-3-carboxamide (PubChem CID 18114940) has the molecular formula C20H25N3O3S and a molecular weight of 387.50 g/mol. Its IUPAC name is N-[3-oxo-3-[4-(2-phenoxyethyl)piperazin-1-yl]propyl]thiophene-3-carboxamide.

Molecular Properties

Compound NameN-[3-oxo-3-[4-(2-phenoxyethyl)piperazin-1-yl]propyl]thiophene-3-carboxamide
PubChem CID18114940
Molecular FormulaC20H25N3O3S
Molecular Weight387.50 g/mol
Exact Mass387.16
IUPAC NameN-[3-oxo-3-[4-(2-phenoxyethyl)piperazin-1-yl]propyl]thiophene-3-carboxamide
SMILESO=C(NCCC(=O)N1CCN(CCOc2ccccc2)CC1)c1ccsc1
InChIInChI=1S/C20H25N3O3S/c24-19(6-8-21-20(25)17-7-15-27-16-17)23-11-9-22(10-12-23)13-14-26-18-4-2-1-3-5-18/h1-5,7,15-16H,6,8-14H2,(H,21,25)
InChIKeyZMRGRZYDPZQBGZ-UHFFFAOYSA-N
XLogP2.09
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.50
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-(2-phenoxyethyl)piperazin-1-yl]-3-thiophen-3-ylpropan-1-one
CID 86978435
N-(3-oxo-3-piperazin-1-ylpropyl)thiophene-3-carboxamide
CID 119402669
N-[3-[4-(2-fluorophenyl)piperazin-1-yl]-3-oxopropyl]thiophene-3-carboxamide
CID 30450778
N-[3-[4-(1-benzothiophen-3-ylmethyl)piperazin-1-yl]-3-oxopropyl]thiophene-3-carboxamide
CID 39979796
N-[3-[4-[(2-methylphenyl)methyl]-1,4-diazepan-1-yl]-3-oxopropyl]thiophene-3-carboxamide
CID 38991392
(3R)-1-[4-(2-phenoxyethyl)piperazin-1-yl]-3-pyrrol-1-yl-3-thiophen-3-ylpropan-1-one
CID 125434109
1-[4-(2-phenoxyethyl)piperazin-1-yl]-3-thiophen-2-ylpropan-1-one
CID 110638111
4-amino-1-[4-(2-phenoxyethyl)piperazin-1-yl]butan-1-one
CID 119833017
3-[4-(3-phenoxypropanoyl)piperazin-1-yl]-1-phenylpropan-1-one
CID 110398614
N-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]-3-phenoxypropanamide
CID 110287178
N-[3-oxo-3-(4-pyridin-4-ylpiperazin-1-yl)propyl]thiophene-3-carboxamide
CID 38027132
4,4,4-trifluoro-1-[4-(2-phenoxyethyl)piperazin-1-yl]butan-1-one
CID 70730336

Frequently Asked Questions

What is the IUPAC name of N-[3-oxo-3-[4-(2-phenoxyethyl)piperazin-1-yl]propyl]thiophene-3-carboxamide?
The IUPAC name of N-[3-oxo-3-[4-(2-phenoxyethyl)piperazin-1-yl]propyl]thiophene-3-carboxamide (CID 18114940) is N-[3-oxo-3-[4-(2-phenoxyethyl)piperazin-1-yl]propyl]thiophene-3-carboxamide.
What is the SMILES notation for N-[3-oxo-3-[4-(2-phenoxyethyl)piperazin-1-yl]propyl]thiophene-3-carboxamide?
The canonical SMILES for N-[3-oxo-3-[4-(2-phenoxyethyl)piperazin-1-yl]propyl]thiophene-3-carboxamide is O=C(NCCC(=O)N1CCN(CCOc2ccccc2)CC1)c1ccsc1.
What is the InChIKey of N-[3-oxo-3-[4-(2-phenoxyethyl)piperazin-1-yl]propyl]thiophene-3-carboxamide?
The InChIKey is ZMRGRZYDPZQBGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O3S/c24-19(6-8-21-20(25)17-7-15-27-16-17)23-11-9-22(10-12-23)13-14-26-18-4-2-1-3-5-18/h1-5,7,15-16H,6,8-14H2,(H,21,25).
What are the key properties of N-[3-oxo-3-[4-(2-phenoxyethyl)piperazin-1-yl]propyl]thiophene-3-carboxamide?
N-[3-oxo-3-[4-(2-phenoxyethyl)piperazin-1-yl]propyl]thiophene-3-carboxamide has a molecular weight of 387.50 g/mol, XLogP of 2.09, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-oxo-3-[4-(2-phenoxyethyl)piperazin-1-yl]propyl]thiophene-3-carboxamide is sourced from PubChem (CID 18114940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).