3-(4-benzylpiperazin-1-yl)-N-(3-cyanothiophen-2-yl)propanamide

C19H22N4OS — CID 43001145

IUPAC3-(4-benzylpiperazin-1-yl)-N-(3-cyanothiophen-2-yl)propanamide
SMILESN#Cc1ccsc1NC(=O)CCN1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C19H22N4OS/c20-14-17-7-13-25-19(17)21-18(24)6-8-22-9-11-23(12-10-22)15-16-4-2-1-3-5-16/h1-5,7,13H,6,8-12,15H2,(H,21,24)
InChIKeyDXMHVZQTTCSBDR-UHFFFAOYSA-N
MW354.48 g/mol
LogP2.77
Rot. Bonds6

About 3-(4-benzylpiperazin-1-yl)-N-(3-cyanothiophen-2-yl)propanamide

3-(4-benzylpiperazin-1-yl)-N-(3-cyanothiophen-2-yl)propanamide (PubChem CID 43001145) has the molecular formula C19H22N4OS and a molecular weight of 354.48 g/mol. Its IUPAC name is 3-(4-benzylpiperazin-1-yl)-N-(3-cyanothiophen-2-yl)propanamide.

Molecular Properties

Compound Name3-(4-benzylpiperazin-1-yl)-N-(3-cyanothiophen-2-yl)propanamide
PubChem CID43001145
Molecular FormulaC19H22N4OS
Molecular Weight354.48 g/mol
Exact Mass354.15
IUPAC Name3-(4-benzylpiperazin-1-yl)-N-(3-cyanothiophen-2-yl)propanamide
SMILESN#Cc1ccsc1NC(=O)CCN1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C19H22N4OS/c20-14-17-7-13-25-19(17)21-18(24)6-8-22-9-11-23(12-10-22)15-16-4-2-1-3-5-16/h1-5,7,13H,6,8-12,15H2,(H,21,24)
InChIKeyDXMHVZQTTCSBDR-UHFFFAOYSA-N
XLogP2.77
TPSA59.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.48
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-cyanothiophen-2-yl)-3-[4-[[4-(trifluoromethyl)phenyl]methyl]-1,4-diazepan-1-yl]propanamide
CID 24618088
3-(4-acetylpiperazin-1-yl)-N-(3-cyanothiophen-2-yl)propanamide
CID 8904188
N-(3-cyanothiophen-2-yl)-3-[4-(furan-2-carbonyl)piperazin-1-yl]propanamide
CID 37375440
3-(4-acetyl-1,4-diazepan-1-yl)-N-(3-cyanothiophen-2-yl)propanamide
CID 34927459
N-(3-cyanothiophen-2-yl)-2-[4-[(4-methylphenyl)methyl]piperazin-1-yl]acetamide
CID 22194992
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-(3-cyanothiophen-2-yl)-3-[4-(2,3-dimethylphenyl)piperazin-1-yl]propanamide
CID 8582805
N-(3-cyanothiophen-2-yl)-3-[3-(methylamino)pyrrolidin-1-yl]propanamide
CID 115300684
N-(3-cyanothiophen-2-yl)-3-[4-[(2S)-oxolane-2-carbonyl]piperazin-1-yl]propanamide
CID 32697229
3-(4-benzylpiperazin-1-yl)-N-(2-nitrophenyl)propanamide
CID 14762588
3-(4-benzylpiperazin-1-yl)-N-(2-chlorophenyl)propanamide
CID 1342605

Frequently Asked Questions

What is the IUPAC name of 3-(4-benzylpiperazin-1-yl)-N-(3-cyanothiophen-2-yl)propanamide?
The IUPAC name of 3-(4-benzylpiperazin-1-yl)-N-(3-cyanothiophen-2-yl)propanamide (CID 43001145) is 3-(4-benzylpiperazin-1-yl)-N-(3-cyanothiophen-2-yl)propanamide.
What is the SMILES notation for 3-(4-benzylpiperazin-1-yl)-N-(3-cyanothiophen-2-yl)propanamide?
The canonical SMILES for 3-(4-benzylpiperazin-1-yl)-N-(3-cyanothiophen-2-yl)propanamide is N#Cc1ccsc1NC(=O)CCN1CCN(Cc2ccccc2)CC1.
What is the InChIKey of 3-(4-benzylpiperazin-1-yl)-N-(3-cyanothiophen-2-yl)propanamide?
The InChIKey is DXMHVZQTTCSBDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4OS/c20-14-17-7-13-25-19(17)21-18(24)6-8-22-9-11-23(12-10-22)15-16-4-2-1-3-5-16/h1-5,7,13H,6,8-12,15H2,(H,21,24).
What are the key properties of 3-(4-benzylpiperazin-1-yl)-N-(3-cyanothiophen-2-yl)propanamide?
3-(4-benzylpiperazin-1-yl)-N-(3-cyanothiophen-2-yl)propanamide has a molecular weight of 354.48 g/mol, XLogP of 2.77, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-benzylpiperazin-1-yl)-N-(3-cyanothiophen-2-yl)propanamide is sourced from PubChem (CID 43001145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).