5-[2-(furan-2-yl)-4-methylpiperidine-1-carbonyl]thiophene-3-carboxamide

C16H18N2O3S — CID 71989320

IUPAC5-[2-(furan-2-yl)-4-methylpiperidine-1-carbonyl]thiophene-3-carboxamide
SMILESCC1CCN(C(=O)c2cc(C(N)=O)cs2)C(c2ccco2)C1
InChIInChI=1S/C16H18N2O3S/c1-10-4-5-18(12(7-10)13-3-2-6-21-13)16(20)14-8-11(9-22-14)15(17)19/h2-3,6,8-10,12H,4-5,7H2,1H3,(H2,17,19)
InChIKeyOLRIJCLIQPZRCS-UHFFFAOYSA-N
MW318.40 g/mol
LogP3.05
Rot. Bonds3

About 5-[2-(furan-2-yl)-4-methylpiperidine-1-carbonyl]thiophene-3-carboxamide

5-[2-(furan-2-yl)-4-methylpiperidine-1-carbonyl]thiophene-3-carboxamide (PubChem CID 71989320) has the molecular formula C16H18N2O3S and a molecular weight of 318.40 g/mol. Its IUPAC name is 5-[2-(furan-2-yl)-4-methylpiperidine-1-carbonyl]thiophene-3-carboxamide.

Molecular Properties

Compound Name5-[2-(furan-2-yl)-4-methylpiperidine-1-carbonyl]thiophene-3-carboxamide
PubChem CID71989320
Molecular FormulaC16H18N2O3S
Molecular Weight318.40 g/mol
Exact Mass318.10
IUPAC Name5-[2-(furan-2-yl)-4-methylpiperidine-1-carbonyl]thiophene-3-carboxamide
SMILESCC1CCN(C(=O)c2cc(C(N)=O)cs2)C(c2ccco2)C1
InChIInChI=1S/C16H18N2O3S/c1-10-4-5-18(12(7-10)13-3-2-6-21-13)16(20)14-8-11(9-22-14)15(17)19/h2-3,6,8-10,12H,4-5,7H2,1H3,(H2,17,19)
InChIKeyOLRIJCLIQPZRCS-UHFFFAOYSA-N
XLogP3.05
TPSA76.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.40
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(2S,4R)-2-(furan-2-yl)-4-methylpiperidine-1-carbonyl]furan-2-carboxylic acid
CID 124692737
[2-(furan-2-yl)-4-methylpiperidin-1-yl]-(3-methylsulfonylphenyl)methanone
CID 71989316
cis-(1S,2R)-2-[(2S,4R)-2-(furan-2-yl)-4-methylpiperidine-1-carbonyl]cyclopropane-1-carboxylic acid
CID 125132569
3-[2-(furan-2-yl)-4-methylpiperidine-1-carbonyl]-1H-pyridin-2-one
CID 71989321
N-[2-[(2S,4R)-2-(furan-2-yl)-4-methylpiperidin-1-yl]-2-oxoethyl]thiophene-2-carboxamide
CID 95990597
4-[2-(furan-2-yl)-4-methylpiperidine-1-carbonyl]-N,N-dimethylpiperidine-1-carboxamide
CID 71869689
(2S,4S)-N-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-2-(furan-2-yl)-4-methylpiperidine-1-carboxamide
CID 99705566
5-[2-(1-methylpyrrolidin-2-yl)pyrrolidine-1-carbonyl]thiophene-3-carboxamide
CID 167804825
[(2R)-2-(furan-2-yl)pyrrolidin-1-yl]-(2-methyl-1,3-thiazol-4-yl)methanone
CID 97453901
5-[(2R)-2-phenacylpyrrolidine-1-carbonyl]thiophene-3-carboxamide
CID 97041948
4-[(2S)-2-(furan-2-yl)pyrrolidine-1-carbonyl]benzoic acid
CID 124701060
5-(4-benzyl-2-methyl-1,4-diazepane-1-carbonyl)thiophene-3-carboxamide
CID 136527442

Frequently Asked Questions

What is the IUPAC name of 5-[2-(furan-2-yl)-4-methylpiperidine-1-carbonyl]thiophene-3-carboxamide?
The IUPAC name of 5-[2-(furan-2-yl)-4-methylpiperidine-1-carbonyl]thiophene-3-carboxamide (CID 71989320) is 5-[2-(furan-2-yl)-4-methylpiperidine-1-carbonyl]thiophene-3-carboxamide.
What is the SMILES notation for 5-[2-(furan-2-yl)-4-methylpiperidine-1-carbonyl]thiophene-3-carboxamide?
The canonical SMILES for 5-[2-(furan-2-yl)-4-methylpiperidine-1-carbonyl]thiophene-3-carboxamide is CC1CCN(C(=O)c2cc(C(N)=O)cs2)C(c2ccco2)C1.
What is the InChIKey of 5-[2-(furan-2-yl)-4-methylpiperidine-1-carbonyl]thiophene-3-carboxamide?
The InChIKey is OLRIJCLIQPZRCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3S/c1-10-4-5-18(12(7-10)13-3-2-6-21-13)16(20)14-8-11(9-22-14)15(17)19/h2-3,6,8-10,12H,4-5,7H2,1H3,(H2,17,19).
What are the key properties of 5-[2-(furan-2-yl)-4-methylpiperidine-1-carbonyl]thiophene-3-carboxamide?
5-[2-(furan-2-yl)-4-methylpiperidine-1-carbonyl]thiophene-3-carboxamide has a molecular weight of 318.40 g/mol, XLogP of 3.05, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(furan-2-yl)-4-methylpiperidine-1-carbonyl]thiophene-3-carboxamide is sourced from PubChem (CID 71989320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).