N-(3-cyanothiophen-2-yl)-3-[4-(furan-2-carbonyl)piperazin-1-yl]propanamide

C17H18N4O3S — CID 37375440

IUPACN-(3-cyanothiophen-2-yl)-3-[4-(furan-2-carbonyl)piperazin-1-yl]propanamide
SMILESN#Cc1ccsc1NC(=O)CCN1CCN(C(=O)c2ccco2)CC1
InChIInChI=1S/C17H18N4O3S/c18-12-13-4-11-25-16(13)19-15(22)3-5-20-6-8-21(9-7-20)17(23)14-2-1-10-24-14/h1-2,4,10-11H,3,5-9H2,(H,19,22)
InChIKeyQBZCSIZUXAEVPF-UHFFFAOYSA-N
MW358.42 g/mol
LogP2.00
Rot. Bonds5

About N-(3-cyanothiophen-2-yl)-3-[4-(furan-2-carbonyl)piperazin-1-yl]propanamide

N-(3-cyanothiophen-2-yl)-3-[4-(furan-2-carbonyl)piperazin-1-yl]propanamide (PubChem CID 37375440) has the molecular formula C17H18N4O3S and a molecular weight of 358.42 g/mol. Its IUPAC name is N-(3-cyanothiophen-2-yl)-3-[4-(furan-2-carbonyl)piperazin-1-yl]propanamide.

Molecular Properties

Compound NameN-(3-cyanothiophen-2-yl)-3-[4-(furan-2-carbonyl)piperazin-1-yl]propanamide
PubChem CID37375440
Molecular FormulaC17H18N4O3S
Molecular Weight358.42 g/mol
Exact Mass358.11
IUPAC NameN-(3-cyanothiophen-2-yl)-3-[4-(furan-2-carbonyl)piperazin-1-yl]propanamide
SMILESN#Cc1ccsc1NC(=O)CCN1CCN(C(=O)c2ccco2)CC1
InChIInChI=1S/C17H18N4O3S/c18-12-13-4-11-25-16(13)19-15(22)3-5-20-6-8-21(9-7-20)17(23)14-2-1-10-24-14/h1-2,4,10-11H,3,5-9H2,(H,19,22)
InChIKeyQBZCSIZUXAEVPF-UHFFFAOYSA-N
XLogP2.00
TPSA89.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.42
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-(4-acetylpiperazin-1-yl)-N-(3-cyanothiophen-2-yl)propanamide
CID 8904188
3-(4-benzylpiperazin-1-yl)-N-(3-cyanothiophen-2-yl)propanamide
CID 43001145
N-(4-cyanophenyl)-3-[4-(furan-2-carbonyl)piperazin-1-yl]propanamide
CID 37376304
3-(4-acetyl-1,4-diazepan-1-yl)-N-(3-cyanothiophen-2-yl)propanamide
CID 34927459
N-(3-cyanothiophen-2-yl)-3-[4-[(2S)-oxolane-2-carbonyl]piperazin-1-yl]propanamide
CID 32697229
N-(3-acetamidophenyl)-3-[4-(furan-2-carbonyl)piperazin-1-yl]propanamide
CID 109030207
N-(3-cyanothiophen-2-yl)-3-[4-[2-(2,6-dimethylanilino)-2-oxoethyl]piperazin-1-yl]propanamide
CID 18283787
N-(3-cyanothiophen-2-yl)-3-(1,4-diazepan-1-yl)propanamide
CID 43340948
N-(2,3-dimethylphenyl)-3-[4-(furan-2-carbonyl)piperazin-1-yl]propanamide
CID 109030173
N-(3-cyanothiophen-2-yl)-3-[4-(2,3-dimethylphenyl)piperazin-1-yl]propanamide
CID 8582805
4-[4-(furan-2-carbonyl)piperazin-1-yl]butan-2-one
CID 82131455
N-[4-(diethylamino)phenyl]-3-[4-(furan-2-carbonyl)piperazin-1-yl]propanamide
CID 109030213

Frequently Asked Questions

What is the IUPAC name of N-(3-cyanothiophen-2-yl)-3-[4-(furan-2-carbonyl)piperazin-1-yl]propanamide?
The IUPAC name of N-(3-cyanothiophen-2-yl)-3-[4-(furan-2-carbonyl)piperazin-1-yl]propanamide (CID 37375440) is N-(3-cyanothiophen-2-yl)-3-[4-(furan-2-carbonyl)piperazin-1-yl]propanamide.
What is the SMILES notation for N-(3-cyanothiophen-2-yl)-3-[4-(furan-2-carbonyl)piperazin-1-yl]propanamide?
The canonical SMILES for N-(3-cyanothiophen-2-yl)-3-[4-(furan-2-carbonyl)piperazin-1-yl]propanamide is N#Cc1ccsc1NC(=O)CCN1CCN(C(=O)c2ccco2)CC1.
What is the InChIKey of N-(3-cyanothiophen-2-yl)-3-[4-(furan-2-carbonyl)piperazin-1-yl]propanamide?
The InChIKey is QBZCSIZUXAEVPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O3S/c18-12-13-4-11-25-16(13)19-15(22)3-5-20-6-8-21(9-7-20)17(23)14-2-1-10-24-14/h1-2,4,10-11H,3,5-9H2,(H,19,22).
What are the key properties of N-(3-cyanothiophen-2-yl)-3-[4-(furan-2-carbonyl)piperazin-1-yl]propanamide?
N-(3-cyanothiophen-2-yl)-3-[4-(furan-2-carbonyl)piperazin-1-yl]propanamide has a molecular weight of 358.42 g/mol, XLogP of 2.00, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyanothiophen-2-yl)-3-[4-(furan-2-carbonyl)piperazin-1-yl]propanamide is sourced from PubChem (CID 37375440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).