5-methyl-N-[2-[(3S)-3-methylpiperidin-1-yl]ethyl]furan-2-carboxamide

C14H22N2O2 — CID 94115510

IUPAC5-methyl-N-[2-[(3S)-3-methylpiperidin-1-yl]ethyl]furan-2-carboxamide
SMILESCc1ccc(C(=O)NCCN2CCC[C@H](C)C2)o1
InChIInChI=1S/C14H22N2O2/c1-11-4-3-8-16(10-11)9-7-15-14(17)13-6-5-12(2)18-13/h5-6,11H,3-4,7-10H2,1-2H3,(H,15,17)/t11-/m0/s1
InChIKeyIUZRQHOSZMBFNV-NSHDSACASA-N
MW250.34 g/mol
LogP2.05
Rot. Bonds4

About 5-methyl-N-[2-[(3S)-3-methylpiperidin-1-yl]ethyl]furan-2-carboxamide

5-methyl-N-[2-[(3S)-3-methylpiperidin-1-yl]ethyl]furan-2-carboxamide (PubChem CID 94115510) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 5-methyl-N-[2-[(3S)-3-methylpiperidin-1-yl]ethyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-methyl-N-[2-[(3S)-3-methylpiperidin-1-yl]ethyl]furan-2-carboxamide
PubChem CID94115510
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name5-methyl-N-[2-[(3S)-3-methylpiperidin-1-yl]ethyl]furan-2-carboxamide
SMILESCc1ccc(C(=O)NCCN2CCC[C@H](C)C2)o1
InChIInChI=1S/C14H22N2O2/c1-11-4-3-8-16(10-11)9-7-15-14(17)13-6-5-12(2)18-13/h5-6,11H,3-4,7-10H2,1-2H3,(H,15,17)/t11-/m0/s1
InChIKeyIUZRQHOSZMBFNV-NSHDSACASA-N
XLogP2.05
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-N-[2-(3-methylpiperidin-1-yl)ethyl]-1-benzofuran-2-carboxamide
CID 55723615
N-[3-[(3S)-3-methylpiperidin-1-yl]propyl]-5-nitrofuran-2-carboxamide
CID 94119592
2-(4-fluorophenyl)-N-[2-[(3R)-3-methylpiperidin-1-yl]ethyl]acetamide
CID 94115488
5-(2-fluorophenyl)-N-[3-[(3S)-3-methylpiperidin-1-yl]propyl]furan-2-carboxamide
CID 51948414
1-methyl-N-[2-[(3S)-3-methylpiperidin-1-yl]ethyl]-6-oxopyridine-2-carboxamide
CID 97244814
N-[2-(3-methylpiperidin-1-yl)ethyl]pyrazine-2-carboxamide
CID 47035916
5-(benzenesulfinylmethyl)-N-[3-(3-methylpiperidin-1-yl)propyl]furan-2-carboxamide
CID 20859479
3-bromo-N-[2-(3-methylpiperidin-1-yl)ethyl]benzamide
CID 47035917
N-[2-[3-(hydroxymethyl)piperidin-1-yl]ethyl]-6-methyl-4-oxopyran-2-carboxamide
CID 118791684
N-[2-[(3R)-3-methylpiperidin-1-yl]ethyl]-6-oxo-1H-pyridazine-3-carboxamide
CID 94115500
3,4-dimethyl-N-[3-[(3R)-3-methylpiperidin-1-yl]propyl]benzamide
CID 94119693
N-[2-[(3S,5R)-3,5-dimethylpiperidin-1-yl]ethyl]-5-nitrofuran-2-carboxamide
CID 94116270

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[2-[(3S)-3-methylpiperidin-1-yl]ethyl]furan-2-carboxamide?
The IUPAC name of 5-methyl-N-[2-[(3S)-3-methylpiperidin-1-yl]ethyl]furan-2-carboxamide (CID 94115510) is 5-methyl-N-[2-[(3S)-3-methylpiperidin-1-yl]ethyl]furan-2-carboxamide.
What is the SMILES notation for 5-methyl-N-[2-[(3S)-3-methylpiperidin-1-yl]ethyl]furan-2-carboxamide?
The canonical SMILES for 5-methyl-N-[2-[(3S)-3-methylpiperidin-1-yl]ethyl]furan-2-carboxamide is Cc1ccc(C(=O)NCCN2CCC[C@H](C)C2)o1.
What is the InChIKey of 5-methyl-N-[2-[(3S)-3-methylpiperidin-1-yl]ethyl]furan-2-carboxamide?
The InChIKey is IUZRQHOSZMBFNV-NSHDSACASA-N. The full InChI is InChI=1S/C14H22N2O2/c1-11-4-3-8-16(10-11)9-7-15-14(17)13-6-5-12(2)18-13/h5-6,11H,3-4,7-10H2,1-2H3,(H,15,17)/t11-/m0/s1.
What are the key properties of 5-methyl-N-[2-[(3S)-3-methylpiperidin-1-yl]ethyl]furan-2-carboxamide?
5-methyl-N-[2-[(3S)-3-methylpiperidin-1-yl]ethyl]furan-2-carboxamide has a molecular weight of 250.34 g/mol, XLogP of 2.05, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[2-[(3S)-3-methylpiperidin-1-yl]ethyl]furan-2-carboxamide is sourced from PubChem (CID 94115510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).