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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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).