N-[2-[(2S)-2-methylpiperidine-1-carbonyl]phenyl]furan-2-carboxamide

C18H20N2O3 — CID 849804

IUPACN-[2-[(2S)-2-methylpiperidine-1-carbonyl]phenyl]furan-2-carboxamide
SMILESC[C@H]1CCCCN1C(=O)c1ccccc1NC(=O)c1ccco1
InChIInChI=1S/C18H20N2O3/c1-13-7-4-5-11-20(13)18(22)14-8-2-3-9-15(14)19-17(21)16-10-6-12-23-16/h2-3,6,8-10,12-13H,4-5,7,11H2,1H3,(H,19,21)/t13-/m0/s1
InChIKeyFHCLWUVUPLMYKC-ZDUSSCGKSA-N
MW312.37 g/mol
LogP3.55
Rot. Bonds3

About N-[2-[(2S)-2-methylpiperidine-1-carbonyl]phenyl]furan-2-carboxamide

N-[2-[(2S)-2-methylpiperidine-1-carbonyl]phenyl]furan-2-carboxamide (PubChem CID 849804) has the molecular formula C18H20N2O3 and a molecular weight of 312.37 g/mol. Its IUPAC name is N-[2-[(2S)-2-methylpiperidine-1-carbonyl]phenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[2-[(2S)-2-methylpiperidine-1-carbonyl]phenyl]furan-2-carboxamide
PubChem CID849804
Molecular FormulaC18H20N2O3
Molecular Weight312.37 g/mol
Exact Mass312.15
IUPAC NameN-[2-[(2S)-2-methylpiperidine-1-carbonyl]phenyl]furan-2-carboxamide
SMILESC[C@H]1CCCCN1C(=O)c1ccccc1NC(=O)c1ccco1
InChIInChI=1S/C18H20N2O3/c1-13-7-4-5-11-20(13)18(22)14-8-2-3-9-15(14)19-17(21)16-10-6-12-23-16/h2-3,6,8-10,12-13H,4-5,7,11H2,1H3,(H,19,21)/t13-/m0/s1
InChIKeyFHCLWUVUPLMYKC-ZDUSSCGKSA-N
XLogP3.55
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(2-methylpiperidine-1-carbonyl)phenyl]-5-(methylsulfanylmethyl)furan-2-carboxamide
CID 131918610
[2-(furan-2-yl)phenyl]-(2-methylpiperidin-1-yl)methanone
CID 168525088
[(2R)-1-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-1-oxopropan-2-yl] 2-(furan-2-carbonylamino)benzoate
CID 7440342
2,3,4-trimethoxy-N-[2-[(2S)-2-methylpiperidine-1-carbonyl]phenyl]benzamide
CID 7565850
(2-hydroxyphenyl)-(2-methylpiperidin-1-yl)methanone
CID 43186537
N-[2-(cyclopropylcarbamoyl)phenyl]furan-2-carboxamide
CID 6460363
N-[[2-(4-methylpiperidine-1-carbonyl)phenyl]carbamothioyl]furan-2-carboxamide
CID 4939517
N-[5-amino-2-(2-methylpiperidin-1-yl)phenyl]furan-2-carboxamide
CID 91675412
N-[5-amino-2-[(2S)-2-methylpiperidin-1-yl]phenyl]furan-2-carboxamide
CID 100803151
N-[2-(cyclopropanecarbonylamino)phenyl]furan-2-carboxamide
CID 856521
N-[2-[[1-(cyclohexylamino)-1-oxobutan-2-yl]carbamoyl]phenyl]furan-2-carboxamide
CID 2930202
N-[2-[[(2S)-3-methyl-1-oxo-1-piperidin-1-ylbutan-2-yl]carbamoyl]phenyl]furan-2-carboxamide
CID 7612713

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2S)-2-methylpiperidine-1-carbonyl]phenyl]furan-2-carboxamide?
The IUPAC name of N-[2-[(2S)-2-methylpiperidine-1-carbonyl]phenyl]furan-2-carboxamide (CID 849804) is N-[2-[(2S)-2-methylpiperidine-1-carbonyl]phenyl]furan-2-carboxamide.
What is the SMILES notation for N-[2-[(2S)-2-methylpiperidine-1-carbonyl]phenyl]furan-2-carboxamide?
The canonical SMILES for N-[2-[(2S)-2-methylpiperidine-1-carbonyl]phenyl]furan-2-carboxamide is C[C@H]1CCCCN1C(=O)c1ccccc1NC(=O)c1ccco1.
What is the InChIKey of N-[2-[(2S)-2-methylpiperidine-1-carbonyl]phenyl]furan-2-carboxamide?
The InChIKey is FHCLWUVUPLMYKC-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H20N2O3/c1-13-7-4-5-11-20(13)18(22)14-8-2-3-9-15(14)19-17(21)16-10-6-12-23-16/h2-3,6,8-10,12-13H,4-5,7,11H2,1H3,(H,19,21)/t13-/m0/s1.
What are the key properties of N-[2-[(2S)-2-methylpiperidine-1-carbonyl]phenyl]furan-2-carboxamide?
N-[2-[(2S)-2-methylpiperidine-1-carbonyl]phenyl]furan-2-carboxamide has a molecular weight of 312.37 g/mol, XLogP of 3.55, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2S)-2-methylpiperidine-1-carbonyl]phenyl]furan-2-carboxamide is sourced from PubChem (CID 849804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).