2-[piperidin-4-yl(propyl)amino]-N-(thiophen-2-ylmethyl)acetamide;hydrochloride

C15H26ClN3OS — CID 119933163

IUPAC2-[piperidin-4-yl(propyl)amino]-N-(thiophen-2-ylmethyl)acetamide;hydrochloride
SMILESCCCN(CC(=O)NCc1cccs1)C1CCNCC1.Cl
InChIInChI=1S/C15H25N3OS.ClH/c1-2-9-18(13-5-7-16-8-6-13)12-15(19)17-11-14-4-3-10-20-14;/h3-4,10,13,16H,2,5-9,11-12H2,1H3,(H,17,19);1H
InChIKeyDQHJMTLIXIQIOJ-UHFFFAOYSA-N
MW331.91 g/mol
LogP2.25
Rot. Bonds7

About 2-[piperidin-4-yl(propyl)amino]-N-(thiophen-2-ylmethyl)acetamide;hydrochloride

2-[piperidin-4-yl(propyl)amino]-N-(thiophen-2-ylmethyl)acetamide;hydrochloride (PubChem CID 119933163) has the molecular formula C15H26ClN3OS and a molecular weight of 331.91 g/mol. Its IUPAC name is 2-[piperidin-4-yl(propyl)amino]-N-(thiophen-2-ylmethyl)acetamide;hydrochloride.

Molecular Properties

Compound Name2-[piperidin-4-yl(propyl)amino]-N-(thiophen-2-ylmethyl)acetamide;hydrochloride
PubChem CID119933163
Molecular FormulaC15H26ClN3OS
Molecular Weight331.91 g/mol
Exact Mass331.15
IUPAC Name2-[piperidin-4-yl(propyl)amino]-N-(thiophen-2-ylmethyl)acetamide;hydrochloride
SMILESCCCN(CC(=O)NCc1cccs1)C1CCNCC1.Cl
InChIInChI=1S/C15H25N3OS.ClH/c1-2-9-18(13-5-7-16-8-6-13)12-15(19)17-11-14-4-3-10-20-14;/h3-4,10,13,16H,2,5-9,11-12H2,1H3,(H,17,19);1H
InChIKeyDQHJMTLIXIQIOJ-UHFFFAOYSA-N
XLogP2.25
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.91
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[propyl(pyrrolidin-3-yl)amino]-N-(thiophen-2-ylmethyl)acetamide;hydrochloride
CID 119921790
2-[cyclohexyl(2-hydroxyethyl)amino]-N-(thiophen-2-ylmethyl)acetamide
CID 60693909
N-ethyl-2-[piperidin-4-yl(propyl)amino]acetamide
CID 60807335
N-(cyclopropylmethyl)-2-[piperidin-4-yl(propyl)amino]acetamide
CID 60806815
2-[propyl(pyrrolidin-3-yl)amino]-N-(1-thiophen-2-ylethyl)acetamide
CID 63304562
N-(1-phenylethyl)-2-[piperidin-4-yl(propyl)amino]acetamide;hydrochloride
CID 119933122
N-[(4-fluorophenyl)methyl]-2-[propyl(pyrrolidin-3-yl)amino]acetamide
CID 63304113
N-ethyl-N-(thiophen-2-ylmethyl)piperidin-4-amine;dihydrochloride
CID 69497458
1-(3-bromothiophen-2-yl)-2-[piperidin-4-yl(propyl)amino]ethanone
CID 62028973
N-methyl-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]pyrrolidine-2-carboxamide
CID 119324788
1-phenyl-2-[piperidin-4-yl(propyl)amino]ethanone
CID 62031069
N-(4-methylcyclohexyl)-2-[piperidin-4-yl(propyl)amino]acetamide;hydrochloride
CID 119933013

Frequently Asked Questions

What is the IUPAC name of 2-[piperidin-4-yl(propyl)amino]-N-(thiophen-2-ylmethyl)acetamide;hydrochloride?
The IUPAC name of 2-[piperidin-4-yl(propyl)amino]-N-(thiophen-2-ylmethyl)acetamide;hydrochloride (CID 119933163) is 2-[piperidin-4-yl(propyl)amino]-N-(thiophen-2-ylmethyl)acetamide;hydrochloride.
What is the SMILES notation for 2-[piperidin-4-yl(propyl)amino]-N-(thiophen-2-ylmethyl)acetamide;hydrochloride?
The canonical SMILES for 2-[piperidin-4-yl(propyl)amino]-N-(thiophen-2-ylmethyl)acetamide;hydrochloride is CCCN(CC(=O)NCc1cccs1)C1CCNCC1.Cl.
What is the InChIKey of 2-[piperidin-4-yl(propyl)amino]-N-(thiophen-2-ylmethyl)acetamide;hydrochloride?
The InChIKey is DQHJMTLIXIQIOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3OS.ClH/c1-2-9-18(13-5-7-16-8-6-13)12-15(19)17-11-14-4-3-10-20-14;/h3-4,10,13,16H,2,5-9,11-12H2,1H3,(H,17,19);1H.
What are the key properties of 2-[piperidin-4-yl(propyl)amino]-N-(thiophen-2-ylmethyl)acetamide;hydrochloride?
2-[piperidin-4-yl(propyl)amino]-N-(thiophen-2-ylmethyl)acetamide;hydrochloride has a molecular weight of 331.91 g/mol, XLogP of 2.25, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[piperidin-4-yl(propyl)amino]-N-(thiophen-2-ylmethyl)acetamide;hydrochloride is sourced from PubChem (CID 119933163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).