N-methyl-N-[(3R,4R)-3-phenylpiperidin-4-yl]thiophene-2-carboxamide;hydrochloride

C17H21ClN2OS — CID 68937823

IUPACN-methyl-N-[(3R,4R)-3-phenylpiperidin-4-yl]thiophene-2-carboxamide;hydrochloride
SMILESCN(C(=O)c1cccs1)[C@@H]1CCNC[C@H]1c1ccccc1.Cl
InChIInChI=1S/C17H20N2OS.ClH/c1-19(17(20)16-8-5-11-21-16)15-9-10-18-12-14(15)13-6-3-2-4-7-13;/h2-8,11,14-15,18H,9-10,12H2,1H3;1H/t14-,15+;/m0./s1
InChIKeyMGRIMEBGXNDEFP-LDXVYITESA-N
MW336.89 g/mol
LogP3.39
Rot. Bonds3

About N-methyl-N-[(3R,4R)-3-phenylpiperidin-4-yl]thiophene-2-carboxamide;hydrochloride

N-methyl-N-[(3R,4R)-3-phenylpiperidin-4-yl]thiophene-2-carboxamide;hydrochloride (PubChem CID 68937823) has the molecular formula C17H21ClN2OS and a molecular weight of 336.89 g/mol. Its IUPAC name is N-methyl-N-[(3R,4R)-3-phenylpiperidin-4-yl]thiophene-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-methyl-N-[(3R,4R)-3-phenylpiperidin-4-yl]thiophene-2-carboxamide;hydrochloride
PubChem CID68937823
Molecular FormulaC17H21ClN2OS
Molecular Weight336.89 g/mol
Exact Mass336.11
IUPAC NameN-methyl-N-[(3R,4R)-3-phenylpiperidin-4-yl]thiophene-2-carboxamide;hydrochloride
SMILESCN(C(=O)c1cccs1)[C@@H]1CCNC[C@H]1c1ccccc1.Cl
InChIInChI=1S/C17H20N2OS.ClH/c1-19(17(20)16-8-5-11-21-16)15-9-10-18-12-14(15)13-6-3-2-4-7-13;/h2-8,11,14-15,18H,9-10,12H2,1H3;1H/t14-,15+;/m0./s1
InChIKeyMGRIMEBGXNDEFP-LDXVYITESA-N
XLogP3.39
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.89
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-N-[(3R)-pyrrolidin-3-yl]thiophene-2-carboxamide
CID 71640939
N-methyl-N-pyrrolidin-3-yl-2-(thiophene-2-carbonyl)benzamide;hydrochloride
CID 119553741
N-methyl-N-(piperidin-3-ylmethyl)thiophene-2-carboxamide;hydrochloride
CID 71642081
N-methyl-N-(2-methyloxolan-3-yl)thiophene-2-carboxamide
CID 82744433
N-[2-[methyl(pyrrolidin-3-yl)amino]-2-oxoethyl]thiophene-2-carboxamide
CID 119553083
N,2,2-trimethyl-N-(3-phenylpiperidin-4-yl)-3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]propanamide
CID 146402208
N,2-dimethyl-2-phenyl-N-[(3S,4R)-4-phenylpyrrolidin-3-yl]propanamide;ethane
CID 91469677
pyrrolidin-3-yl(thiophen-2-yl)methanone
CID 68933269
N-[3-(4-fluorophenyl)piperidin-4-yl]-N-methyl-3,5-bis(trifluoromethyl)benzamide
CID 87629375
2-[methyl(piperidin-4-yl)amino]-1-thiophen-2-ylethanone
CID 62030561
(3S,4R)-4-thiophen-2-ylpyrrolidine-3-carboxylic acid
CID 96621498
N-methyl-N-[(3R,4R)-3-(4-methylphenyl)piperidin-4-yl]-3,5-bis(trifluoromethyl)benzamide
CID 86631370

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(3R,4R)-3-phenylpiperidin-4-yl]thiophene-2-carboxamide;hydrochloride?
The IUPAC name of N-methyl-N-[(3R,4R)-3-phenylpiperidin-4-yl]thiophene-2-carboxamide;hydrochloride (CID 68937823) is N-methyl-N-[(3R,4R)-3-phenylpiperidin-4-yl]thiophene-2-carboxamide;hydrochloride.
What is the SMILES notation for N-methyl-N-[(3R,4R)-3-phenylpiperidin-4-yl]thiophene-2-carboxamide;hydrochloride?
The canonical SMILES for N-methyl-N-[(3R,4R)-3-phenylpiperidin-4-yl]thiophene-2-carboxamide;hydrochloride is CN(C(=O)c1cccs1)[C@@H]1CCNC[C@H]1c1ccccc1.Cl.
What is the InChIKey of N-methyl-N-[(3R,4R)-3-phenylpiperidin-4-yl]thiophene-2-carboxamide;hydrochloride?
The InChIKey is MGRIMEBGXNDEFP-LDXVYITESA-N. The full InChI is InChI=1S/C17H20N2OS.ClH/c1-19(17(20)16-8-5-11-21-16)15-9-10-18-12-14(15)13-6-3-2-4-7-13;/h2-8,11,14-15,18H,9-10,12H2,1H3;1H/t14-,15+;/m0./s1.
What are the key properties of N-methyl-N-[(3R,4R)-3-phenylpiperidin-4-yl]thiophene-2-carboxamide;hydrochloride?
N-methyl-N-[(3R,4R)-3-phenylpiperidin-4-yl]thiophene-2-carboxamide;hydrochloride has a molecular weight of 336.89 g/mol, XLogP of 3.39, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(3R,4R)-3-phenylpiperidin-4-yl]thiophene-2-carboxamide;hydrochloride is sourced from PubChem (CID 68937823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).