N-[4-oxo-4-[4-(thiophen-2-ylmethyl)piperazin-1-yl]butyl]furan-2-carboxamide

C18H23N3O3S — CID 35349485

IUPACN-[4-oxo-4-[4-(thiophen-2-ylmethyl)piperazin-1-yl]butyl]furan-2-carboxamide
SMILESO=C(NCCCC(=O)N1CCN(Cc2cccs2)CC1)c1ccco1
InChIInChI=1S/C18H23N3O3S/c22-17(6-1-7-19-18(23)16-5-2-12-24-16)21-10-8-20(9-11-21)14-15-4-3-13-25-15/h2-5,12-13H,1,6-11,14H2,(H,19,23)
InChIKeyCBQKYFHIAHNJHA-UHFFFAOYSA-N
MW361.47 g/mol
LogP2.20
Rot. Bonds7

About N-[4-oxo-4-[4-(thiophen-2-ylmethyl)piperazin-1-yl]butyl]furan-2-carboxamide

N-[4-oxo-4-[4-(thiophen-2-ylmethyl)piperazin-1-yl]butyl]furan-2-carboxamide (PubChem CID 35349485) has the molecular formula C18H23N3O3S and a molecular weight of 361.47 g/mol. Its IUPAC name is N-[4-oxo-4-[4-(thiophen-2-ylmethyl)piperazin-1-yl]butyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[4-oxo-4-[4-(thiophen-2-ylmethyl)piperazin-1-yl]butyl]furan-2-carboxamide
PubChem CID35349485
Molecular FormulaC18H23N3O3S
Molecular Weight361.47 g/mol
Exact Mass361.15
IUPAC NameN-[4-oxo-4-[4-(thiophen-2-ylmethyl)piperazin-1-yl]butyl]furan-2-carboxamide
SMILESO=C(NCCCC(=O)N1CCN(Cc2cccs2)CC1)c1ccco1
InChIInChI=1S/C18H23N3O3S/c22-17(6-1-7-19-18(23)16-5-2-12-24-16)21-10-8-20(9-11-21)14-15-4-3-13-25-15/h2-5,12-13H,1,6-11,14H2,(H,19,23)
InChIKeyCBQKYFHIAHNJHA-UHFFFAOYSA-N
XLogP2.20
TPSA65.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.47
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[4-oxo-4-[4-(pyridin-3-ylmethyl)piperazin-1-yl]butyl]furan-2-carboxamide
CID 134045130
N-[4-(4-benzoylpiperazin-1-yl)-4-oxobutyl]furan-2-carboxamide
CID 39757861
N-[4-[4-[(2-chloro-4-fluorophenyl)methyl]piperazin-1-yl]-4-oxobutyl]furan-2-carboxamide
CID 34820631
N-[3-(4-benzyl-1,4-diazepan-1-yl)-3-oxopropyl]furan-2-carboxamide
CID 43044219
3-amino-1-[4-(thiophen-2-ylmethyl)piperazin-1-yl]propan-1-one
CID 54869397
N-[4-[4-[2-(2,6-dimethylanilino)-2-oxoethyl]piperazin-1-yl]-4-oxobutyl]furan-2-carboxamide
CID 27851017
3-amino-1-[4-(thiophen-2-ylmethyl)piperazin-1-yl]propan-1-one;dihydrochloride
CID 119834140
N-[3-[4-(furan-2-carbonyl)piperazin-1-yl]-3-oxopropyl]thiophene-2-carboxamide
CID 78794624
1-(4-benzylpiperazin-1-yl)-4-thiophen-2-ylbutan-1-one
CID 78774501
N-[4-(3,4-dihydro-1H-isoquinolin-2-yl)-4-oxobutyl]furan-2-carboxamide
CID 35811729
N-[4-[(3S)-3-hydroxypyrrolidin-1-yl]-4-oxobutyl]furan-2-carboxamide
CID 79030088
methyl 4-oxo-4-[4-(thiophen-2-ylmethyl)piperazin-1-yl]butanoate
CID 110709188

Frequently Asked Questions

What is the IUPAC name of N-[4-oxo-4-[4-(thiophen-2-ylmethyl)piperazin-1-yl]butyl]furan-2-carboxamide?
The IUPAC name of N-[4-oxo-4-[4-(thiophen-2-ylmethyl)piperazin-1-yl]butyl]furan-2-carboxamide (CID 35349485) is N-[4-oxo-4-[4-(thiophen-2-ylmethyl)piperazin-1-yl]butyl]furan-2-carboxamide.
What is the SMILES notation for N-[4-oxo-4-[4-(thiophen-2-ylmethyl)piperazin-1-yl]butyl]furan-2-carboxamide?
The canonical SMILES for N-[4-oxo-4-[4-(thiophen-2-ylmethyl)piperazin-1-yl]butyl]furan-2-carboxamide is O=C(NCCCC(=O)N1CCN(Cc2cccs2)CC1)c1ccco1.
What is the InChIKey of N-[4-oxo-4-[4-(thiophen-2-ylmethyl)piperazin-1-yl]butyl]furan-2-carboxamide?
The InChIKey is CBQKYFHIAHNJHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O3S/c22-17(6-1-7-19-18(23)16-5-2-12-24-16)21-10-8-20(9-11-21)14-15-4-3-13-25-15/h2-5,12-13H,1,6-11,14H2,(H,19,23).
What are the key properties of N-[4-oxo-4-[4-(thiophen-2-ylmethyl)piperazin-1-yl]butyl]furan-2-carboxamide?
N-[4-oxo-4-[4-(thiophen-2-ylmethyl)piperazin-1-yl]butyl]furan-2-carboxamide has a molecular weight of 361.47 g/mol, XLogP of 2.20, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-oxo-4-[4-(thiophen-2-ylmethyl)piperazin-1-yl]butyl]furan-2-carboxamide is sourced from PubChem (CID 35349485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).