N-[(1S)-2-(3-methoxyphenyl)-1-[1-(quinoxaline-6-carbonyl)piperidin-4-yl]ethyl]-N-methylfuran-2-carboxamide

C29H30N4O4 — CID 26348800

IUPACN-[(1S)-2-(3-methoxyphenyl)-1-[1-(quinoxaline-6-carbonyl)piperidin-4-yl]ethyl]-N-methylfuran-2-carboxamide
SMILESCOc1cccc(C[C@@H](C2CCN(C(=O)c3ccc4nccnc4c3)CC2)N(C)C(=O)c2ccco2)c1
InChIInChI=1S/C29H30N4O4/c1-32(29(35)27-7-4-16-37-27)26(18-20-5-3-6-23(17-20)36-2)21-10-14-33(15-11-21)28(34)22-8-9-24-25(19-22)31-13-12-30-24/h3-9,12-13,16-17,19,21,26H,10-11,14-15,18H2,1-2H3/t26-/m0/s1
InChIKeyPPGGWVCEWJTCNC-SANMLTNESA-N
MW498.58 g/mol
LogP4.47
Rot. Bonds7

About N-[(1S)-2-(3-methoxyphenyl)-1-[1-(quinoxaline-6-carbonyl)piperidin-4-yl]ethyl]-N-methylfuran-2-carboxamide

N-[(1S)-2-(3-methoxyphenyl)-1-[1-(quinoxaline-6-carbonyl)piperidin-4-yl]ethyl]-N-methylfuran-2-carboxamide (PubChem CID 26348800) has the molecular formula C29H30N4O4 and a molecular weight of 498.58 g/mol. Its IUPAC name is N-[(1S)-2-(3-methoxyphenyl)-1-[1-(quinoxaline-6-carbonyl)piperidin-4-yl]ethyl]-N-methylfuran-2-carboxamide.

Molecular Properties

Compound NameN-[(1S)-2-(3-methoxyphenyl)-1-[1-(quinoxaline-6-carbonyl)piperidin-4-yl]ethyl]-N-methylfuran-2-carboxamide
PubChem CID26348800
Molecular FormulaC29H30N4O4
Molecular Weight498.58 g/mol
Exact Mass498.23
IUPAC NameN-[(1S)-2-(3-methoxyphenyl)-1-[1-(quinoxaline-6-carbonyl)piperidin-4-yl]ethyl]-N-methylfuran-2-carboxamide
SMILESCOc1cccc(C[C@@H](C2CCN(C(=O)c3ccc4nccnc4c3)CC2)N(C)C(=O)c2ccco2)c1
InChIInChI=1S/C29H30N4O4/c1-32(29(35)27-7-4-16-37-27)26(18-20-5-3-6-23(17-20)36-2)21-10-14-33(15-11-21)28(34)22-8-9-24-25(19-22)31-13-12-30-24/h3-9,12-13,16-17,19,21,26H,10-11,14-15,18H2,1-2H3/t26-/m0/s1
InChIKeyPPGGWVCEWJTCNC-SANMLTNESA-N
XLogP4.47
TPSA88.77 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.58
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(1R)-1-[1-(cyclopentene-1-carbonyl)piperidin-4-yl]-2-(3-methoxyphenyl)ethyl]-N-methylfuran-2-carboxamide
CID 26348293
N-[(1R)-2-(3-methoxyphenyl)-1-[1-(2-pyrazol-1-ylacetyl)piperidin-4-yl]ethyl]-N-methylfuran-2-carboxamide
CID 26403696
N-[(1S)-2-(3-methoxyphenyl)-1-[1-(2-methyl-1,3-thiazole-4-carbonyl)piperidin-4-yl]ethyl]-N-methylfuran-2-carboxamide
CID 42441873
N-[2-(3-methoxyphenyl)-1-[1-[2-(1-methylpyrrol-3-yl)acetyl]piperidin-4-yl]ethyl]-N-methylfuran-2-carboxamide
CID 118757312
N-[1-[1-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)acetyl]piperidin-4-yl]-2-(3-methoxyphenyl)ethyl]-N-methylfuran-2-carboxamide
CID 45198411
N,1-dimethyl-N-[(1S)-2-phenyl-1-[1-(quinoxaline-6-carbonyl)piperidin-4-yl]ethyl]pyrazole-3-carboxamide
CID 42482388
N-[(1R)-2-(3-methoxyphenyl)-1-[1-[(1-pyridin-3-ylpyrrol-2-yl)methyl]piperidin-4-yl]ethyl]-N-methylfuran-2-carboxamide
CID 42213471
N-[(1R)-1-[1-(2-fluorobenzoyl)piperidin-4-yl]-2-(3-methoxyphenyl)ethyl]-N-methylpyridine-3-carboxamide
CID 26281727
N-[(1S)-2-(3-methoxyphenyl)-1-[1-(2-methyl-1,3-thiazole-4-carbonyl)piperidin-4-yl]ethyl]-N-methylpyridine-3-carboxamide
CID 26343898
N-[1-[1-(1H-indole-5-carbonyl)piperidin-4-yl]-2-(3-methoxyphenyl)ethyl]-N-methylcyclopropanecarboxamide
CID 45225227
N-[1-[1-[(1R,2R,4R)-bicyclo[2.2.1]hept-5-ene-2-carbonyl]piperidin-4-yl]-2-(3-methoxyphenyl)ethyl]-N-methylpyridine-3-carboxamide
CID 45189719
N-[(1R)-1-[1-[2-(4-fluorophenyl)acetyl]piperidin-4-yl]-2-(3-methoxyphenyl)ethyl]-N-methylpyridine-3-carboxamide
CID 42482993

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-2-(3-methoxyphenyl)-1-[1-(quinoxaline-6-carbonyl)piperidin-4-yl]ethyl]-N-methylfuran-2-carboxamide?
The IUPAC name of N-[(1S)-2-(3-methoxyphenyl)-1-[1-(quinoxaline-6-carbonyl)piperidin-4-yl]ethyl]-N-methylfuran-2-carboxamide (CID 26348800) is N-[(1S)-2-(3-methoxyphenyl)-1-[1-(quinoxaline-6-carbonyl)piperidin-4-yl]ethyl]-N-methylfuran-2-carboxamide.
What is the SMILES notation for N-[(1S)-2-(3-methoxyphenyl)-1-[1-(quinoxaline-6-carbonyl)piperidin-4-yl]ethyl]-N-methylfuran-2-carboxamide?
The canonical SMILES for N-[(1S)-2-(3-methoxyphenyl)-1-[1-(quinoxaline-6-carbonyl)piperidin-4-yl]ethyl]-N-methylfuran-2-carboxamide is COc1cccc(C[C@@H](C2CCN(C(=O)c3ccc4nccnc4c3)CC2)N(C)C(=O)c2ccco2)c1.
What is the InChIKey of N-[(1S)-2-(3-methoxyphenyl)-1-[1-(quinoxaline-6-carbonyl)piperidin-4-yl]ethyl]-N-methylfuran-2-carboxamide?
The InChIKey is PPGGWVCEWJTCNC-SANMLTNESA-N. The full InChI is InChI=1S/C29H30N4O4/c1-32(29(35)27-7-4-16-37-27)26(18-20-5-3-6-23(17-20)36-2)21-10-14-33(15-11-21)28(34)22-8-9-24-25(19-22)31-13-12-30-24/h3-9,12-13,16-17,19,21,26H,10-11,14-15,18H2,1-2H3/t26-/m0/s1.
What are the key properties of N-[(1S)-2-(3-methoxyphenyl)-1-[1-(quinoxaline-6-carbonyl)piperidin-4-yl]ethyl]-N-methylfuran-2-carboxamide?
N-[(1S)-2-(3-methoxyphenyl)-1-[1-(quinoxaline-6-carbonyl)piperidin-4-yl]ethyl]-N-methylfuran-2-carboxamide has a molecular weight of 498.58 g/mol, XLogP of 4.47, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-2-(3-methoxyphenyl)-1-[1-(quinoxaline-6-carbonyl)piperidin-4-yl]ethyl]-N-methylfuran-2-carboxamide is sourced from PubChem (CID 26348800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).