N-[1-(4-methylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]butanamide

C16H27N3OS — CID 3240734

IUPACN-[1-(4-methylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]butanamide
SMILESCCCC(=O)NC(C)C(c1cccs1)N1CCN(C)CC1
InChIInChI=1S/C16H27N3OS/c1-4-6-15(20)17-13(2)16(14-7-5-12-21-14)19-10-8-18(3)9-11-19/h5,7,12-13,16H,4,6,8-11H2,1-3H3,(H,17,20)
InChIKeyMZLLACQPYYMMHF-UHFFFAOYSA-N
MW309.48 g/mol
LogP2.34
Rot. Bonds6

About N-[1-(4-methylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]butanamide

N-[1-(4-methylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]butanamide (PubChem CID 3240734) has the molecular formula C16H27N3OS and a molecular weight of 309.48 g/mol. Its IUPAC name is N-[1-(4-methylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]butanamide.

Molecular Properties

Compound NameN-[1-(4-methylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]butanamide
PubChem CID3240734
Molecular FormulaC16H27N3OS
Molecular Weight309.48 g/mol
Exact Mass309.19
IUPAC NameN-[1-(4-methylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]butanamide
SMILESCCCC(=O)NC(C)C(c1cccs1)N1CCN(C)CC1
InChIInChI=1S/C16H27N3OS/c1-4-6-15(20)17-13(2)16(14-7-5-12-21-14)19-10-8-18(3)9-11-19/h5,7,12-13,16H,4,6,8-11H2,1-3H3,(H,17,20)
InChIKeyMZLLACQPYYMMHF-UHFFFAOYSA-N
XLogP2.34
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.48
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-(4-methylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]butanamide?
The IUPAC name of N-[1-(4-methylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]butanamide (CID 3240734) is N-[1-(4-methylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]butanamide.
What is the SMILES notation for N-[1-(4-methylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]butanamide?
The canonical SMILES for N-[1-(4-methylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]butanamide is CCCC(=O)NC(C)C(c1cccs1)N1CCN(C)CC1.
What is the InChIKey of N-[1-(4-methylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]butanamide?
The InChIKey is MZLLACQPYYMMHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3OS/c1-4-6-15(20)17-13(2)16(14-7-5-12-21-14)19-10-8-18(3)9-11-19/h5,7,12-13,16H,4,6,8-11H2,1-3H3,(H,17,20).
What are the key properties of N-[1-(4-methylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]butanamide?
N-[1-(4-methylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]butanamide has a molecular weight of 309.48 g/mol, XLogP of 2.34, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-methylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]butanamide is sourced from PubChem (CID 3240734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).