N-methyl-N-piperidin-4-yl-3-thiophen-2-ylpropanamide;hydrochloride

C13H21ClN2OS — CID 119442471

IUPACN-methyl-N-piperidin-4-yl-3-thiophen-2-ylpropanamide;hydrochloride
SMILESCN(C(=O)CCc1cccs1)C1CCNCC1.Cl
InChIInChI=1S/C13H20N2OS.ClH/c1-15(11-6-8-14-9-7-11)13(16)5-4-12-3-2-10-17-12;/h2-3,10-11,14H,4-9H2,1H3;1H
InChIKeyBLHNQRSDWQHMBZ-UHFFFAOYSA-N
MW288.84 g/mol
LogP2.31
Rot. Bonds4

About N-methyl-N-piperidin-4-yl-3-thiophen-2-ylpropanamide;hydrochloride

N-methyl-N-piperidin-4-yl-3-thiophen-2-ylpropanamide;hydrochloride (PubChem CID 119442471) has the molecular formula C13H21ClN2OS and a molecular weight of 288.84 g/mol. Its IUPAC name is N-methyl-N-piperidin-4-yl-3-thiophen-2-ylpropanamide;hydrochloride.

Molecular Properties

Compound NameN-methyl-N-piperidin-4-yl-3-thiophen-2-ylpropanamide;hydrochloride
PubChem CID119442471
Molecular FormulaC13H21ClN2OS
Molecular Weight288.84 g/mol
Exact Mass288.11
IUPAC NameN-methyl-N-piperidin-4-yl-3-thiophen-2-ylpropanamide;hydrochloride
SMILESCN(C(=O)CCc1cccs1)C1CCNCC1.Cl
InChIInChI=1S/C13H20N2OS.ClH/c1-15(11-6-8-14-9-7-11)13(16)5-4-12-3-2-10-17-12;/h2-3,10-11,14H,4-9H2,1H3;1H
InChIKeyBLHNQRSDWQHMBZ-UHFFFAOYSA-N
XLogP2.31
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.84
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-chlorothiophen-2-yl)-N-methyl-N-piperidin-4-ylpropanamide;hydrochloride
CID 119443256
N-methyl-N-piperidin-3-yl-4-thiophen-2-ylbutanamide
CID 63642993
N-methyl-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide;hydrochloride
CID 119267119
N-[(2S,4S)-2-(4-fluorophenyl)oxan-4-yl]-N-methyl-3-thiophen-2-ylpropanamide
CID 125137543
N-(azepan-4-yl)-N-methyl-3-phenylpropanamide
CID 104974503
3-(2,3-difluorophenyl)-N-methyl-N-piperidin-4-ylpropanamide;hydrochloride
CID 119441407
N-cyclopropyl-2-piperidin-4-yl-N-(thiophen-2-ylmethyl)acetamide;hydrochloride
CID 119715455
N-methyl-3-thiophen-2-yl-N-(thiophen-2-ylmethyl)propanamide
CID 110733634
N-ethyl-N-(thiophen-2-ylmethyl)piperidin-4-amine;dihydrochloride
CID 69497458
N-methyl-N-piperidin-4-yl-2-(thiophen-2-ylsulfonylamino)acetamide
CID 119443055
N,N-bis(thiophen-2-ylmethyl)piperidine-4-carboxamide;hydrochloride
CID 119271762
1-pyrrolidin-3-yl-3-thiophen-2-ylpropan-1-one
CID 116568317

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-piperidin-4-yl-3-thiophen-2-ylpropanamide;hydrochloride?
The IUPAC name of N-methyl-N-piperidin-4-yl-3-thiophen-2-ylpropanamide;hydrochloride (CID 119442471) is N-methyl-N-piperidin-4-yl-3-thiophen-2-ylpropanamide;hydrochloride.
What is the SMILES notation for N-methyl-N-piperidin-4-yl-3-thiophen-2-ylpropanamide;hydrochloride?
The canonical SMILES for N-methyl-N-piperidin-4-yl-3-thiophen-2-ylpropanamide;hydrochloride is CN(C(=O)CCc1cccs1)C1CCNCC1.Cl.
What is the InChIKey of N-methyl-N-piperidin-4-yl-3-thiophen-2-ylpropanamide;hydrochloride?
The InChIKey is BLHNQRSDWQHMBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2OS.ClH/c1-15(11-6-8-14-9-7-11)13(16)5-4-12-3-2-10-17-12;/h2-3,10-11,14H,4-9H2,1H3;1H.
What are the key properties of N-methyl-N-piperidin-4-yl-3-thiophen-2-ylpropanamide;hydrochloride?
N-methyl-N-piperidin-4-yl-3-thiophen-2-ylpropanamide;hydrochloride has a molecular weight of 288.84 g/mol, XLogP of 2.31, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-piperidin-4-yl-3-thiophen-2-ylpropanamide;hydrochloride is sourced from PubChem (CID 119442471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).