N-[(2S)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-4-oxochromene-2-carboxamide

C21H22N2O4 — CID 26834088

IUPACN-[(2S)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-4-oxochromene-2-carboxamide
SMILESO=C(NC[C@@H](c1ccco1)N1CCCCC1)c1cc(=O)c2ccccc2o1
InChIInChI=1S/C21H22N2O4/c24-17-13-20(27-18-8-3-2-7-15(17)18)21(25)22-14-16(19-9-6-12-26-19)23-10-4-1-5-11-23/h2-3,6-9,12-13,16H,1,4-5,10-11,14H2,(H,22,25)/t16-/m0/s1
InChIKeyOWNBGCWTUWEAHD-INIZCTEOSA-N
MW366.42 g/mol
LogP3.34
Rot. Bonds5

About N-[(2S)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-4-oxochromene-2-carboxamide

N-[(2S)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-4-oxochromene-2-carboxamide (PubChem CID 26834088) has the molecular formula C21H22N2O4 and a molecular weight of 366.42 g/mol. Its IUPAC name is N-[(2S)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-4-oxochromene-2-carboxamide.

Molecular Properties

Compound NameN-[(2S)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-4-oxochromene-2-carboxamide
PubChem CID26834088
Molecular FormulaC21H22N2O4
Molecular Weight366.42 g/mol
Exact Mass366.16
IUPAC NameN-[(2S)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-4-oxochromene-2-carboxamide
SMILESO=C(NC[C@@H](c1ccco1)N1CCCCC1)c1cc(=O)c2ccccc2o1
InChIInChI=1S/C21H22N2O4/c24-17-13-20(27-18-8-3-2-7-15(17)18)21(25)22-14-16(19-9-6-12-26-19)23-10-4-1-5-11-23/h2-3,6-9,12-13,16H,1,4-5,10-11,14H2,(H,22,25)/t16-/m0/s1
InChIKeyOWNBGCWTUWEAHD-INIZCTEOSA-N
XLogP3.34
TPSA75.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.42
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-ethyl-N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-4-oxochromene-2-carboxamide
CID 22509494
6-bromo-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-4-oxochromene-2-carboxamide
CID 43843758
N-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-1-benzofuran-2-carboxamide
CID 2571311
N-[2-(4-tert-butylphenyl)-2-piperidin-1-ylethyl]-4-oxochromene-2-carboxamide
CID 50751397
N-[2-(furan-2-yl)-2-morpholin-4-ylethyl]-6,7-dimethyl-4-oxochromene-2-carboxamide
CID 43843785
N-[(2S)-2-(furan-2-yl)-2-piperidin-1-ylethyl]naphthalene-1-carboxamide
CID 26834307
N-[(2R)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-2-oxo-1H-quinoline-4-carboxamide
CID 2542030
6-ethyl-4-oxo-N-(2-phenyl-2-pyrrolidin-1-ylethyl)chromene-2-carboxamide
CID 45155475
N-[2-(5-methylfuran-2-yl)-2-(4-methylpiperidin-1-yl)ethyl]-4-oxochromene-2-carboxamide
CID 46270223
N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]benzamide;hydrochloride
CID 52985069
6-methyl-N-[2-(5-methylfuran-2-yl)-2-piperidin-1-ylethyl]-4-oxochromene-2-carboxamide
CID 22509651
N-[2-(furan-2-yl)-2-morpholin-4-ylethyl]-6,8-dimethyl-4-oxochromene-2-carboxamide
CID 22509491

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-4-oxochromene-2-carboxamide?
The IUPAC name of N-[(2S)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-4-oxochromene-2-carboxamide (CID 26834088) is N-[(2S)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-4-oxochromene-2-carboxamide.
What is the SMILES notation for N-[(2S)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-4-oxochromene-2-carboxamide?
The canonical SMILES for N-[(2S)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-4-oxochromene-2-carboxamide is O=C(NC[C@@H](c1ccco1)N1CCCCC1)c1cc(=O)c2ccccc2o1.
What is the InChIKey of N-[(2S)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-4-oxochromene-2-carboxamide?
The InChIKey is OWNBGCWTUWEAHD-INIZCTEOSA-N. The full InChI is InChI=1S/C21H22N2O4/c24-17-13-20(27-18-8-3-2-7-15(17)18)21(25)22-14-16(19-9-6-12-26-19)23-10-4-1-5-11-23/h2-3,6-9,12-13,16H,1,4-5,10-11,14H2,(H,22,25)/t16-/m0/s1.
What are the key properties of N-[(2S)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-4-oxochromene-2-carboxamide?
N-[(2S)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-4-oxochromene-2-carboxamide has a molecular weight of 366.42 g/mol, XLogP of 3.34, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-4-oxochromene-2-carboxamide is sourced from PubChem (CID 26834088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).