N-[(5-methylthiophen-2-yl)methyl]-6-oxo-1-(2-phenylethyl)piperidine-3-carboxamide

C20H24N2O2S — CID 24790154

IUPACN-[(5-methylthiophen-2-yl)methyl]-6-oxo-1-(2-phenylethyl)piperidine-3-carboxamide
SMILESCc1ccc(CNC(=O)C2CCC(=O)N(CCc3ccccc3)C2)s1
InChIInChI=1S/C20H24N2O2S/c1-15-7-9-18(25-15)13-21-20(24)17-8-10-19(23)22(14-17)12-11-16-5-3-2-4-6-16/h2-7,9,17H,8,10-14H2,1H3,(H,21,24)
InChIKeyAFRJIUUNXQWYAL-UHFFFAOYSA-N
MW356.49 g/mol
LogP3.15
Rot. Bonds6

About N-[(5-methylthiophen-2-yl)methyl]-6-oxo-1-(2-phenylethyl)piperidine-3-carboxamide

N-[(5-methylthiophen-2-yl)methyl]-6-oxo-1-(2-phenylethyl)piperidine-3-carboxamide (PubChem CID 24790154) has the molecular formula C20H24N2O2S and a molecular weight of 356.49 g/mol. Its IUPAC name is N-[(5-methylthiophen-2-yl)methyl]-6-oxo-1-(2-phenylethyl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-[(5-methylthiophen-2-yl)methyl]-6-oxo-1-(2-phenylethyl)piperidine-3-carboxamide
PubChem CID24790154
Molecular FormulaC20H24N2O2S
Molecular Weight356.49 g/mol
Exact Mass356.16
IUPAC NameN-[(5-methylthiophen-2-yl)methyl]-6-oxo-1-(2-phenylethyl)piperidine-3-carboxamide
SMILESCc1ccc(CNC(=O)C2CCC(=O)N(CCc3ccccc3)C2)s1
InChIInChI=1S/C20H24N2O2S/c1-15-7-9-18(25-15)13-21-20(24)17-8-10-19(23)22(14-17)12-11-16-5-3-2-4-6-16/h2-7,9,17H,8,10-14H2,1H3,(H,21,24)
InChIKeyAFRJIUUNXQWYAL-UHFFFAOYSA-N
XLogP3.15
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.49
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2-methoxyphenyl)methyl]-N-[(5-methylthiophen-2-yl)methyl]-6-oxopiperidine-3-carboxamide
CID 56703472
(3S)-6-oxo-N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]-1-(2-phenylethyl)piperidine-3-carboxamide
CID 136748649
N-[(2-methyl-1H-indol-5-yl)methyl]-6-oxo-1-(2-phenylethyl)piperidine-3-carboxamide
CID 45203882
(3R)-N-[(2-methyl-1H-indol-5-yl)methyl]-6-oxo-1-(2-phenylethyl)piperidine-3-carboxamide
CID 25395723
1-cyclopentyl-N-[(5-methylthiophen-2-yl)methyl]-6-oxopiperidine-3-carboxamide
CID 45195394
6-oxo-1-(2-phenylethyl)-N-[(4-propyl-1,2,4-triazol-3-yl)methyl]piperidine-3-carboxamide
CID 45199030
N-(1H-indol-4-ylmethyl)-6-oxo-1-(2-phenylethyl)piperidine-3-carboxamide
CID 24790535
(3S)-6-oxo-1-(2-phenylethyl)-N-(2-pyridin-3-ylethyl)piperidine-3-carboxamide
CID 42592382
(3R)-1-[2-(4-methoxyphenyl)ethyl]-6-oxo-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide
CID 97151949
(3S)-N-cyclopropyl-6-oxo-1-(3-phenylpropyl)piperidine-3-carboxamide
CID 97114789
N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-1-[2-(3-fluorophenyl)ethyl]-6-oxopiperidine-3-carboxamide
CID 56704546
1-(2-methoxyethyl)-6-oxo-N-(3-phenylpropyl)piperidine-3-carboxamide
CID 45208370

Frequently Asked Questions

What is the IUPAC name of N-[(5-methylthiophen-2-yl)methyl]-6-oxo-1-(2-phenylethyl)piperidine-3-carboxamide?
The IUPAC name of N-[(5-methylthiophen-2-yl)methyl]-6-oxo-1-(2-phenylethyl)piperidine-3-carboxamide (CID 24790154) is N-[(5-methylthiophen-2-yl)methyl]-6-oxo-1-(2-phenylethyl)piperidine-3-carboxamide.
What is the SMILES notation for N-[(5-methylthiophen-2-yl)methyl]-6-oxo-1-(2-phenylethyl)piperidine-3-carboxamide?
The canonical SMILES for N-[(5-methylthiophen-2-yl)methyl]-6-oxo-1-(2-phenylethyl)piperidine-3-carboxamide is Cc1ccc(CNC(=O)C2CCC(=O)N(CCc3ccccc3)C2)s1.
What is the InChIKey of N-[(5-methylthiophen-2-yl)methyl]-6-oxo-1-(2-phenylethyl)piperidine-3-carboxamide?
The InChIKey is AFRJIUUNXQWYAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O2S/c1-15-7-9-18(25-15)13-21-20(24)17-8-10-19(23)22(14-17)12-11-16-5-3-2-4-6-16/h2-7,9,17H,8,10-14H2,1H3,(H,21,24).
What are the key properties of N-[(5-methylthiophen-2-yl)methyl]-6-oxo-1-(2-phenylethyl)piperidine-3-carboxamide?
N-[(5-methylthiophen-2-yl)methyl]-6-oxo-1-(2-phenylethyl)piperidine-3-carboxamide has a molecular weight of 356.49 g/mol, XLogP of 3.15, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methylthiophen-2-yl)methyl]-6-oxo-1-(2-phenylethyl)piperidine-3-carboxamide is sourced from PubChem (CID 24790154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).