2-piperazin-1-yl-N-(thiophen-3-ylmethyl)propanamide

C12H19N3OS — CID 63244626

IUPAC2-piperazin-1-yl-N-(thiophen-3-ylmethyl)propanamide
SMILESCC(C(=O)NCc1ccsc1)N1CCNCC1
InChIInChI=1S/C12H19N3OS/c1-10(15-5-3-13-4-6-15)12(16)14-8-11-2-7-17-9-11/h2,7,9-10,13H,3-6,8H2,1H3,(H,14,16)
InChIKeyAQTVQKQYOZUZAK-UHFFFAOYSA-N
MW253.37 g/mol
LogP0.66
Rot. Bonds4

About 2-piperazin-1-yl-N-(thiophen-3-ylmethyl)propanamide

2-piperazin-1-yl-N-(thiophen-3-ylmethyl)propanamide (PubChem CID 63244626) has the molecular formula C12H19N3OS and a molecular weight of 253.37 g/mol. Its IUPAC name is 2-piperazin-1-yl-N-(thiophen-3-ylmethyl)propanamide.

Molecular Properties

Compound Name2-piperazin-1-yl-N-(thiophen-3-ylmethyl)propanamide
PubChem CID63244626
Molecular FormulaC12H19N3OS
Molecular Weight253.37 g/mol
Exact Mass253.12
IUPAC Name2-piperazin-1-yl-N-(thiophen-3-ylmethyl)propanamide
SMILESCC(C(=O)NCc1ccsc1)N1CCNCC1
InChIInChI=1S/C12H19N3OS/c1-10(15-5-3-13-4-6-15)12(16)14-8-11-2-7-17-9-11/h2,7,9-10,13H,3-6,8H2,1H3,(H,14,16)
InChIKeyAQTVQKQYOZUZAK-UHFFFAOYSA-N
XLogP0.66
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.37
LogP ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-piperazin-1-yl-N-(thiophen-3-ylmethyl)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(4-methoxyphenyl)methyl]-2-piperazin-1-ylpropanamide
CID 43089556
2,3-dimethyl-4-oxo-4-(thiophen-3-ylmethylamino)butanoic acid
CID 103498386
(2S)-N-[(4-fluorophenyl)methyl]-2-[4-[(2R)-1-[(4-fluorophenyl)methylamino]-1-oxopropan-2-yl]piperazin-1-yl]propanamide
CID 30958923
2-methyl-1-piperazin-1-yl-3-thiophen-3-ylpropan-1-one
CID 82511106
2-piperazin-1-yl-N-[2-(1H-pyrrol-3-yl)ethyl]propanamide
CID 115189236
N-[(1-methylimidazol-2-yl)methyl]-2-piperazin-1-ylpropanamide
CID 55171775
3-amino-2-methyl-3-sulfanylidene-N-(thiophen-3-ylmethyl)propanamide
CID 63243923
2-amino-4-methyl-N-(thiophen-3-ylmethyl)pentanamide
CID 63246547
N-[2-(4-methoxyphenyl)ethyl]-2-piperazin-1-ylpropanamide
CID 43130632
2-(4-fluorophenyl)-2-piperidin-1-yl-N-(thiophen-3-ylmethyl)acetamide
CID 131924426
N-[(5-methyl-1,3-oxazol-2-yl)methyl]-2-piperazin-1-ylpropanamide
CID 114180578
2-[2-(1,4,7,10-tetrazacyclododec-1-yl)propanoylamino]acetic acid
CID 57071289

Frequently Asked Questions

What is the IUPAC name of 2-piperazin-1-yl-N-(thiophen-3-ylmethyl)propanamide?
The IUPAC name of 2-piperazin-1-yl-N-(thiophen-3-ylmethyl)propanamide (CID 63244626) is 2-piperazin-1-yl-N-(thiophen-3-ylmethyl)propanamide.
What is the SMILES notation for 2-piperazin-1-yl-N-(thiophen-3-ylmethyl)propanamide?
The canonical SMILES for 2-piperazin-1-yl-N-(thiophen-3-ylmethyl)propanamide is CC(C(=O)NCc1ccsc1)N1CCNCC1.
What is the InChIKey of 2-piperazin-1-yl-N-(thiophen-3-ylmethyl)propanamide?
The InChIKey is AQTVQKQYOZUZAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3OS/c1-10(15-5-3-13-4-6-15)12(16)14-8-11-2-7-17-9-11/h2,7,9-10,13H,3-6,8H2,1H3,(H,14,16).
What are the key properties of 2-piperazin-1-yl-N-(thiophen-3-ylmethyl)propanamide?
2-piperazin-1-yl-N-(thiophen-3-ylmethyl)propanamide has a molecular weight of 253.37 g/mol, XLogP of 0.66, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperazin-1-yl-N-(thiophen-3-ylmethyl)propanamide is sourced from PubChem (CID 63244626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).