N-(3-methylthiophen-2-yl)-4-piperazin-1-ylbutanamide

C13H21N3OS — CID 115178475

IUPACN-(3-methylthiophen-2-yl)-4-piperazin-1-ylbutanamide
SMILESCc1ccsc1NC(=O)CCCN1CCNCC1
InChIInChI=1S/C13H21N3OS/c1-11-4-10-18-13(11)15-12(17)3-2-7-16-8-5-14-6-9-16/h4,10,14H,2-3,5-9H2,1H3,(H,15,17)
InChIKeyXPCDMEFNKSAVGR-UHFFFAOYSA-N
MW267.40 g/mol
LogP1.68
Rot. Bonds5

About N-(3-methylthiophen-2-yl)-4-piperazin-1-ylbutanamide

N-(3-methylthiophen-2-yl)-4-piperazin-1-ylbutanamide (PubChem CID 115178475) has the molecular formula C13H21N3OS and a molecular weight of 267.40 g/mol. Its IUPAC name is N-(3-methylthiophen-2-yl)-4-piperazin-1-ylbutanamide.

Molecular Properties

Compound NameN-(3-methylthiophen-2-yl)-4-piperazin-1-ylbutanamide
PubChem CID115178475
Molecular FormulaC13H21N3OS
Molecular Weight267.40 g/mol
Exact Mass267.14
IUPAC NameN-(3-methylthiophen-2-yl)-4-piperazin-1-ylbutanamide
SMILESCc1ccsc1NC(=O)CCCN1CCNCC1
InChIInChI=1S/C13H21N3OS/c1-11-4-10-18-13(11)15-12(17)3-2-7-16-8-5-14-6-9-16/h4,10,14H,2-3,5-9H2,1H3,(H,15,17)
InChIKeyXPCDMEFNKSAVGR-UHFFFAOYSA-N
XLogP1.68
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.40
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-methylthiophen-2-yl)-4-piperazin-1-ylbutan-1-one
CID 116920360
N-(3-cyanothiophen-2-yl)-3-(1,4-diazepan-1-yl)propanamide
CID 43340948
N-(2,4-dimethylphenyl)-3-piperazin-1-ylpropanamide
CID 28807910
2-(methylamino)-N-(3-methylthiophen-2-yl)acetamide
CID 115151897
N-(3-methylthiophen-2-yl)-3-oxobutanamide
CID 115176235
N-(3-piperazin-1-ylpropyl)-4-thiophen-2-ylbutanamide
CID 43443283
1-(3-methylthiophen-2-yl)-4-piperazin-1-ylbutan-1-amine
CID 116942064
N-(2,2-dimethylpropyl)-4-piperazin-1-ylbutanamide
CID 115178486
4-(2,5-dimethylphenyl)-4-oxo-N-(3-piperazin-1-ylpropyl)butanamide
CID 119392750
N-(3-cyanothiophen-2-yl)-2-piperazin-1-ylacetamide
CID 43162397
1-(4-chloro-3-methylphenyl)-4-piperazin-1-ylbutan-1-one
CID 93213561
2-(2-methylphenyl)-N-(3-piperazin-1-ylpropyl)acetamide
CID 43443368

Frequently Asked Questions

What is the IUPAC name of N-(3-methylthiophen-2-yl)-4-piperazin-1-ylbutanamide?
The IUPAC name of N-(3-methylthiophen-2-yl)-4-piperazin-1-ylbutanamide (CID 115178475) is N-(3-methylthiophen-2-yl)-4-piperazin-1-ylbutanamide.
What is the SMILES notation for N-(3-methylthiophen-2-yl)-4-piperazin-1-ylbutanamide?
The canonical SMILES for N-(3-methylthiophen-2-yl)-4-piperazin-1-ylbutanamide is Cc1ccsc1NC(=O)CCCN1CCNCC1.
What is the InChIKey of N-(3-methylthiophen-2-yl)-4-piperazin-1-ylbutanamide?
The InChIKey is XPCDMEFNKSAVGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3OS/c1-11-4-10-18-13(11)15-12(17)3-2-7-16-8-5-14-6-9-16/h4,10,14H,2-3,5-9H2,1H3,(H,15,17).
What are the key properties of N-(3-methylthiophen-2-yl)-4-piperazin-1-ylbutanamide?
N-(3-methylthiophen-2-yl)-4-piperazin-1-ylbutanamide has a molecular weight of 267.40 g/mol, XLogP of 1.68, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylthiophen-2-yl)-4-piperazin-1-ylbutanamide is sourced from PubChem (CID 115178475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).