N-methyl-3-piperazin-1-yl-N-thiophen-2-ylpropanamide

C12H19N3OS — CID 115171742

IUPACN-methyl-3-piperazin-1-yl-N-thiophen-2-ylpropanamide
SMILESCN(C(=O)CCN1CCNCC1)c1cccs1
InChIInChI=1S/C12H19N3OS/c1-14(12-3-2-10-17-12)11(16)4-7-15-8-5-13-6-9-15/h2-3,10,13H,4-9H2,1H3
InChIKeyOUGJXFKFSLAIHS-UHFFFAOYSA-N
MW253.37 g/mol
LogP1.01
Rot. Bonds4

About N-methyl-3-piperazin-1-yl-N-thiophen-2-ylpropanamide

N-methyl-3-piperazin-1-yl-N-thiophen-2-ylpropanamide (PubChem CID 115171742) has the molecular formula C12H19N3OS and a molecular weight of 253.37 g/mol. Its IUPAC name is N-methyl-3-piperazin-1-yl-N-thiophen-2-ylpropanamide.

Molecular Properties

Compound NameN-methyl-3-piperazin-1-yl-N-thiophen-2-ylpropanamide
PubChem CID115171742
Molecular FormulaC12H19N3OS
Molecular Weight253.37 g/mol
Exact Mass253.12
IUPAC NameN-methyl-3-piperazin-1-yl-N-thiophen-2-ylpropanamide
SMILESCN(C(=O)CCN1CCNCC1)c1cccs1
InChIInChI=1S/C12H19N3OS/c1-14(12-3-2-10-17-12)11(16)4-7-15-8-5-13-6-9-15/h2-3,10,13H,4-9H2,1H3
InChIKeyOUGJXFKFSLAIHS-UHFFFAOYSA-N
XLogP1.01
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.37
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N,2-dimethyl-3-piperazin-1-yl-N-thiophen-2-ylpropanamide
CID 115189078
2-(1,4-diazepan-1-yl)-N-methyl-N-(thiophen-2-ylmethyl)ethanamine
CID 62833124
N-methyl-3-(4-methylpiperazin-1-yl)-N-phenylpropanamide
CID 110856844
2-[methyl-(2-piperazin-1-yl-1-thiophen-2-ylethyl)amino]acetic acid
CID 82201749
N-methyl-4-piperazin-1-yl-N-pyridin-3-ylbutanamide
CID 115178480
N-methyl-N-[(5-methylfuran-2-yl)methyl]-3-piperazin-1-ylpropanamide
CID 115171782
N-methyl-N-(3-methylthiophen-2-yl)-2-piperazin-1-ylacetamide
CID 115171691
N-cyclobutyl-N-methyl-3-piperazin-1-ylpropanamide
CID 115171758
1-(4-methylphenyl)-3-piperazin-1-ylpropan-1-one
CID 82064813
N-ethyl-2-piperazin-1-yl-N-(thiophen-2-ylmethyl)acetamide
CID 60939844
N-(4-piperazin-1-ylbutyl)thiophen-2-amine
CID 115240320
1-(3-methylthiophen-2-yl)-4-piperazin-1-ylbutan-1-one
CID 116920360

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-piperazin-1-yl-N-thiophen-2-ylpropanamide?
The IUPAC name of N-methyl-3-piperazin-1-yl-N-thiophen-2-ylpropanamide (CID 115171742) is N-methyl-3-piperazin-1-yl-N-thiophen-2-ylpropanamide.
What is the SMILES notation for N-methyl-3-piperazin-1-yl-N-thiophen-2-ylpropanamide?
The canonical SMILES for N-methyl-3-piperazin-1-yl-N-thiophen-2-ylpropanamide is CN(C(=O)CCN1CCNCC1)c1cccs1.
What is the InChIKey of N-methyl-3-piperazin-1-yl-N-thiophen-2-ylpropanamide?
The InChIKey is OUGJXFKFSLAIHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3OS/c1-14(12-3-2-10-17-12)11(16)4-7-15-8-5-13-6-9-15/h2-3,10,13H,4-9H2,1H3.
What are the key properties of N-methyl-3-piperazin-1-yl-N-thiophen-2-ylpropanamide?
N-methyl-3-piperazin-1-yl-N-thiophen-2-ylpropanamide has a molecular weight of 253.37 g/mol, XLogP of 1.01, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-piperazin-1-yl-N-thiophen-2-ylpropanamide is sourced from PubChem (CID 115171742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).