N,2-dimethyl-3-piperazin-1-yl-N-thiophen-2-ylpropanamide

C13H21N3OS — CID 115189078

IUPACN,2-dimethyl-3-piperazin-1-yl-N-thiophen-2-ylpropanamide
SMILESCC(CN1CCNCC1)C(=O)N(C)c1cccs1
InChIInChI=1S/C13H21N3OS/c1-11(10-16-7-5-14-6-8-16)13(17)15(2)12-4-3-9-18-12/h3-4,9,11,14H,5-8,10H2,1-2H3
InChIKeyIORHVJYMDQDSRN-UHFFFAOYSA-N
MW267.40 g/mol
LogP1.25
Rot. Bonds4

About N,2-dimethyl-3-piperazin-1-yl-N-thiophen-2-ylpropanamide

N,2-dimethyl-3-piperazin-1-yl-N-thiophen-2-ylpropanamide (PubChem CID 115189078) has the molecular formula C13H21N3OS and a molecular weight of 267.40 g/mol. Its IUPAC name is N,2-dimethyl-3-piperazin-1-yl-N-thiophen-2-ylpropanamide.

Molecular Properties

Compound NameN,2-dimethyl-3-piperazin-1-yl-N-thiophen-2-ylpropanamide
PubChem CID115189078
Molecular FormulaC13H21N3OS
Molecular Weight267.40 g/mol
Exact Mass267.14
IUPAC NameN,2-dimethyl-3-piperazin-1-yl-N-thiophen-2-ylpropanamide
SMILESCC(CN1CCNCC1)C(=O)N(C)c1cccs1
InChIInChI=1S/C13H21N3OS/c1-11(10-16-7-5-14-6-8-16)13(17)15(2)12-4-3-9-18-12/h3-4,9,11,14H,5-8,10H2,1-2H3
InChIKeyIORHVJYMDQDSRN-UHFFFAOYSA-N
XLogP1.25
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.40
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-3-piperazin-1-yl-N-thiophen-2-ylpropanamide
CID 115171742
2-hydroxy-N-methyl-N-thiophen-2-ylpropanamide
CID 115140457
2-[methyl-(2-piperazin-1-yl-1-thiophen-2-ylethyl)amino]acetic acid
CID 82201749
N,2-dimethyl-3-piperazin-1-yl-N-propylpropanamide
CID 115189074
2-[methyl(thiophen-2-yl)carbamoyl]propanedioic acid
CID 175014913
1-(2-thiophen-2-ylsulfanylpropyl)piperazine
CID 117035710
1-[methyl(thiophen-2-ylmethyl)amino]-3-piperazin-1-ylpropan-2-ol
CID 65448493
2-methyl-1-naphthalen-1-yl-3-piperazin-1-ylpropan-1-one
CID 82262999
2-methyl-1,3-di(piperazin-1-yl)propan-1-one
CID 82511421
2-(2-methyl-3-piperazin-1-ylpropanoyl)oxyethyl 2-methyl-3-piperazin-1-ylpropanoate
CID 142196227
2-[ethyl-(2-piperazin-1-yl-1-thiophen-2-ylethyl)amino]ethanol
CID 82201748
2-methyl-3-piperazin-1-yl-N-(1H-pyrrol-2-yl)propanamide
CID 115189060

Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-3-piperazin-1-yl-N-thiophen-2-ylpropanamide?
The IUPAC name of N,2-dimethyl-3-piperazin-1-yl-N-thiophen-2-ylpropanamide (CID 115189078) is N,2-dimethyl-3-piperazin-1-yl-N-thiophen-2-ylpropanamide.
What is the SMILES notation for N,2-dimethyl-3-piperazin-1-yl-N-thiophen-2-ylpropanamide?
The canonical SMILES for N,2-dimethyl-3-piperazin-1-yl-N-thiophen-2-ylpropanamide is CC(CN1CCNCC1)C(=O)N(C)c1cccs1.
What is the InChIKey of N,2-dimethyl-3-piperazin-1-yl-N-thiophen-2-ylpropanamide?
The InChIKey is IORHVJYMDQDSRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3OS/c1-11(10-16-7-5-14-6-8-16)13(17)15(2)12-4-3-9-18-12/h3-4,9,11,14H,5-8,10H2,1-2H3.
What are the key properties of N,2-dimethyl-3-piperazin-1-yl-N-thiophen-2-ylpropanamide?
N,2-dimethyl-3-piperazin-1-yl-N-thiophen-2-ylpropanamide has a molecular weight of 267.40 g/mol, XLogP of 1.25, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-3-piperazin-1-yl-N-thiophen-2-ylpropanamide is sourced from PubChem (CID 115189078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).