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

C17H19N3O4S — CID 78794624

IUPACN-[3-[4-(furan-2-carbonyl)piperazin-1-yl]-3-oxopropyl]thiophene-2-carboxamide
SMILESO=C(NCCC(=O)N1CCN(C(=O)c2ccco2)CC1)c1cccs1
InChIInChI=1S/C17H19N3O4S/c21-15(5-6-18-16(22)14-4-2-12-25-14)19-7-9-20(10-8-19)17(23)13-3-1-11-24-13/h1-4,11-12H,5-10H2,(H,18,22)
InChIKeyJPGZWAQLDWZSMB-UHFFFAOYSA-N
MW361.42 g/mol
LogP1.45
Rot. Bonds5

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

N-[3-[4-(furan-2-carbonyl)piperazin-1-yl]-3-oxopropyl]thiophene-2-carboxamide (PubChem CID 78794624) has the molecular formula C17H19N3O4S and a molecular weight of 361.42 g/mol. Its IUPAC name is N-[3-[4-(furan-2-carbonyl)piperazin-1-yl]-3-oxopropyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[3-[4-(furan-2-carbonyl)piperazin-1-yl]-3-oxopropyl]thiophene-2-carboxamide
PubChem CID78794624
Molecular FormulaC17H19N3O4S
Molecular Weight361.42 g/mol
Exact Mass361.11
IUPAC NameN-[3-[4-(furan-2-carbonyl)piperazin-1-yl]-3-oxopropyl]thiophene-2-carboxamide
SMILESO=C(NCCC(=O)N1CCN(C(=O)c2ccco2)CC1)c1cccs1
InChIInChI=1S/C17H19N3O4S/c21-15(5-6-18-16(22)14-4-2-12-25-14)19-7-9-20(10-8-19)17(23)13-3-1-11-24-13/h1-4,11-12H,5-10H2,(H,18,22)
InChIKeyJPGZWAQLDWZSMB-UHFFFAOYSA-N
XLogP1.45
TPSA82.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.42
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-(4-acetylpiperazin-1-yl)-3-oxopropyl]thiophene-2-carboxamide
CID 51180610
2-[4-(furan-2-carbonyl)piperazin-1-yl]-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone
CID 8544458
[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl] thiophene-2-carboxylate
CID 2355144
N-[3-oxo-3-[4-(thiophene-2-carbonyl)piperazin-1-yl]propyl]benzamide
CID 18115079
N-[3-[4-(furan-2-carbonyl)piperazin-1-yl]-3-oxopropyl]-2-methoxybenzamide
CID 25162180
N-[3-oxo-3-[4-(pyridin-3-ylmethyl)piperazin-1-yl]propyl]thiophene-2-carboxamide
CID 55483676
4-bromo-N-[3-oxo-3-[4-(thiophene-2-carbonyl)piperazin-1-yl]propyl]benzamide
CID 39948550
4-(furan-2-carbonyl)-N-(2-thiophen-2-ylethyl)piperazine-1-carboxamide
CID 3830233
N-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]furan-2-carboxamide
CID 6461144
N-[4-oxo-4-[4-(thiophen-2-ylmethyl)piperazin-1-yl]butyl]furan-2-carboxamide
CID 35349485
tert-butyl N-[3-[4-(furan-2-carbonyl)-1,4-diazepan-1-yl]-3-oxopropyl]carbamate
CID 108543198
3-(cyclopentylamino)-1-[4-(furan-2-carbonyl)piperazin-1-yl]propan-1-one
CID 109013650

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-(furan-2-carbonyl)piperazin-1-yl]-3-oxopropyl]thiophene-2-carboxamide?
The IUPAC name of N-[3-[4-(furan-2-carbonyl)piperazin-1-yl]-3-oxopropyl]thiophene-2-carboxamide (CID 78794624) is N-[3-[4-(furan-2-carbonyl)piperazin-1-yl]-3-oxopropyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[3-[4-(furan-2-carbonyl)piperazin-1-yl]-3-oxopropyl]thiophene-2-carboxamide?
The canonical SMILES for N-[3-[4-(furan-2-carbonyl)piperazin-1-yl]-3-oxopropyl]thiophene-2-carboxamide is O=C(NCCC(=O)N1CCN(C(=O)c2ccco2)CC1)c1cccs1.
What is the InChIKey of N-[3-[4-(furan-2-carbonyl)piperazin-1-yl]-3-oxopropyl]thiophene-2-carboxamide?
The InChIKey is JPGZWAQLDWZSMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O4S/c21-15(5-6-18-16(22)14-4-2-12-25-14)19-7-9-20(10-8-19)17(23)13-3-1-11-24-13/h1-4,11-12H,5-10H2,(H,18,22).
What are the key properties of N-[3-[4-(furan-2-carbonyl)piperazin-1-yl]-3-oxopropyl]thiophene-2-carboxamide?
N-[3-[4-(furan-2-carbonyl)piperazin-1-yl]-3-oxopropyl]thiophene-2-carboxamide has a molecular weight of 361.42 g/mol, XLogP of 1.45, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-(furan-2-carbonyl)piperazin-1-yl]-3-oxopropyl]thiophene-2-carboxamide is sourced from PubChem (CID 78794624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).