N-[(5-methylthiophen-2-yl)methyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide

C17H20N2O2S2 — CID 71941255

IUPACN-[(5-methylthiophen-2-yl)methyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
SMILESCc1ccc(CNC(=O)C2CCCN(C(=O)c3cccs3)C2)s1
InChIInChI=1S/C17H20N2O2S2/c1-12-6-7-14(23-12)10-18-16(20)13-4-2-8-19(11-13)17(21)15-5-3-9-22-15/h3,5-7,9,13H,2,4,8,10-11H2,1H3,(H,18,20)
InChIKeyCMDKBTIUNHSWMD-UHFFFAOYSA-N
MW348.49 g/mol
LogP3.29
Rot. Bonds4

About N-[(5-methylthiophen-2-yl)methyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide

N-[(5-methylthiophen-2-yl)methyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide (PubChem CID 71941255) has the molecular formula C17H20N2O2S2 and a molecular weight of 348.49 g/mol. Its IUPAC name is N-[(5-methylthiophen-2-yl)methyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-[(5-methylthiophen-2-yl)methyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
PubChem CID71941255
Molecular FormulaC17H20N2O2S2
Molecular Weight348.49 g/mol
Exact Mass348.10
IUPAC NameN-[(5-methylthiophen-2-yl)methyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
SMILESCc1ccc(CNC(=O)C2CCCN(C(=O)c3cccs3)C2)s1
InChIInChI=1S/C17H20N2O2S2/c1-12-6-7-14(23-12)10-18-16(20)13-4-2-8-19(11-13)17(21)15-5-3-9-22-15/h3,5-7,9,13H,2,4,8,10-11H2,1H3,(H,18,20)
InChIKeyCMDKBTIUNHSWMD-UHFFFAOYSA-N
XLogP3.29
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.49
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-N-propyl-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 39977852
N-[(4-chlorophenyl)methyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 46556728
N-butyl-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 43053418
N-[(3-fluoro-4-methylphenyl)methyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 134002117
1-(thiophene-2-carbonyl)-N-[(2,4,5-trimethoxyphenyl)methyl]piperidine-3-carboxamide
CID 46556807
(3S)-N-(1,3-benzothiazol-2-ylmethyl)-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 39977455
(3S)-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 39982688
(3R)-1-(3,5-dimethylbenzoyl)-N-(thiophen-2-ylmethyl)piperidine-3-carboxamide
CID 94082845
N-[[3-(dimethylcarbamoyl)phenyl]methyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 46481195
(3S)-N-[2-[di(propan-2-yl)amino]ethyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 30783507
1-(thiophene-2-carbonyl)-N-(thiophen-2-ylmethyl)azetidine-3-carboxamide
CID 90511056
(3R)-N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 30784334

Frequently Asked Questions

What is the IUPAC name of N-[(5-methylthiophen-2-yl)methyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide?
The IUPAC name of N-[(5-methylthiophen-2-yl)methyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide (CID 71941255) is N-[(5-methylthiophen-2-yl)methyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide.
What is the SMILES notation for N-[(5-methylthiophen-2-yl)methyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide?
The canonical SMILES for N-[(5-methylthiophen-2-yl)methyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide is Cc1ccc(CNC(=O)C2CCCN(C(=O)c3cccs3)C2)s1.
What is the InChIKey of N-[(5-methylthiophen-2-yl)methyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide?
The InChIKey is CMDKBTIUNHSWMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2S2/c1-12-6-7-14(23-12)10-18-16(20)13-4-2-8-19(11-13)17(21)15-5-3-9-22-15/h3,5-7,9,13H,2,4,8,10-11H2,1H3,(H,18,20).
What are the key properties of N-[(5-methylthiophen-2-yl)methyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide?
N-[(5-methylthiophen-2-yl)methyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide has a molecular weight of 348.49 g/mol, XLogP of 3.29, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methylthiophen-2-yl)methyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide is sourced from PubChem (CID 71941255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).