N-[(1R)-1-[1-(cyclopentene-1-carbonyl)piperidin-4-yl]-2-(3-methoxyphenyl)ethyl]-N-methylfuran-2-carboxamide

C26H32N2O4 — CID 26348293

IUPACN-[(1R)-1-[1-(cyclopentene-1-carbonyl)piperidin-4-yl]-2-(3-methoxyphenyl)ethyl]-N-methylfuran-2-carboxamide
SMILESCOc1cccc(C[C@H](C2CCN(C(=O)C3=CCCC3)CC2)N(C)C(=O)c2ccco2)c1
InChIInChI=1S/C26H32N2O4/c1-27(26(30)24-11-6-16-32-24)23(18-19-7-5-10-22(17-19)31-2)20-12-14-28(15-13-20)25(29)21-8-3-4-9-21/h5-8,10-11,16-17,20,23H,3-4,9,12-15,18H2,1-2H3/t23-/m1/s1
InChIKeyRAIFIXZZHVMQED-HSZRJFAPSA-N
MW436.55 g/mol
LogP4.32
Rot. Bonds7

About N-[(1R)-1-[1-(cyclopentene-1-carbonyl)piperidin-4-yl]-2-(3-methoxyphenyl)ethyl]-N-methylfuran-2-carboxamide

N-[(1R)-1-[1-(cyclopentene-1-carbonyl)piperidin-4-yl]-2-(3-methoxyphenyl)ethyl]-N-methylfuran-2-carboxamide (PubChem CID 26348293) has the molecular formula C26H32N2O4 and a molecular weight of 436.55 g/mol. Its IUPAC name is N-[(1R)-1-[1-(cyclopentene-1-carbonyl)piperidin-4-yl]-2-(3-methoxyphenyl)ethyl]-N-methylfuran-2-carboxamide.

Molecular Properties

Compound NameN-[(1R)-1-[1-(cyclopentene-1-carbonyl)piperidin-4-yl]-2-(3-methoxyphenyl)ethyl]-N-methylfuran-2-carboxamide
PubChem CID26348293
Molecular FormulaC26H32N2O4
Molecular Weight436.55 g/mol
Exact Mass436.24
IUPAC NameN-[(1R)-1-[1-(cyclopentene-1-carbonyl)piperidin-4-yl]-2-(3-methoxyphenyl)ethyl]-N-methylfuran-2-carboxamide
SMILESCOc1cccc(C[C@H](C2CCN(C(=O)C3=CCCC3)CC2)N(C)C(=O)c2ccco2)c1
InChIInChI=1S/C26H32N2O4/c1-27(26(30)24-11-6-16-32-24)23(18-19-7-5-10-22(17-19)31-2)20-12-14-28(15-13-20)25(29)21-8-3-4-9-21/h5-8,10-11,16-17,20,23H,3-4,9,12-15,18H2,1-2H3/t23-/m1/s1
InChIKeyRAIFIXZZHVMQED-HSZRJFAPSA-N
XLogP4.32
TPSA62.99 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.55
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-[(1R)-1-[1-(cyclopentene-1-carbonyl)piperidin-4-yl]-2-(3-methoxyphenyl)ethyl]-N-methylfuran-2-carboxamide with MolForge

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Related Compounds

N-[1-[1-(cyclopentene-1-carbonyl)piperidin-4-yl]-2-(3-methoxyphenyl)ethyl]-N-methyl-3-methylsulfanylpropanamide
CID 45216421
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-[(1S)-2-(3-methoxyphenyl)-1-[1-(quinoxaline-6-carbonyl)piperidin-4-yl]ethyl]-N-methylfuran-2-carboxamide
CID 26348800
N-[(1R)-2-(3-methoxyphenyl)-1-[1-(2-pyrazol-1-ylacetyl)piperidin-4-yl]ethyl]-N-methylfuran-2-carboxamide
CID 26403696
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-[(1R)-1-[1-(cyclopentene-1-carbonyl)piperidin-4-yl]-2-phenylethyl]-N,1-dimethylpyrazole-3-carboxamide
CID 42448955
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-[1-[1-(1-benzofuran-2-carbonyl)piperidin-4-yl]-2-(3-methoxyphenyl)ethyl]-N-methylcyclopropanecarboxamide
CID 45225107
N-[(1S)-2-(3-methoxyphenyl)-1-[1-(6-methylpyridine-2-carbonyl)piperidin-4-yl]ethyl]-N,1-dimethylpyrazole-3-carboxamide
CID 25365472
N-[2-(3-methoxyphenyl)-1-[1-(1-methylpiperidine-2-carbonyl)piperidin-4-yl]ethyl]-N,1-dimethylpyrazole-3-carboxamide
CID 45190136
N-[(1R)-1-[1-(2-fluorobenzoyl)piperidin-4-yl]-2-(3-methoxyphenyl)ethyl]-N-methylpyridine-3-carboxamide
CID 26281727

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-[1-(cyclopentene-1-carbonyl)piperidin-4-yl]-2-(3-methoxyphenyl)ethyl]-N-methylfuran-2-carboxamide?
The IUPAC name of N-[(1R)-1-[1-(cyclopentene-1-carbonyl)piperidin-4-yl]-2-(3-methoxyphenyl)ethyl]-N-methylfuran-2-carboxamide (CID 26348293) is N-[(1R)-1-[1-(cyclopentene-1-carbonyl)piperidin-4-yl]-2-(3-methoxyphenyl)ethyl]-N-methylfuran-2-carboxamide.
What is the SMILES notation for N-[(1R)-1-[1-(cyclopentene-1-carbonyl)piperidin-4-yl]-2-(3-methoxyphenyl)ethyl]-N-methylfuran-2-carboxamide?
The canonical SMILES for N-[(1R)-1-[1-(cyclopentene-1-carbonyl)piperidin-4-yl]-2-(3-methoxyphenyl)ethyl]-N-methylfuran-2-carboxamide is COc1cccc(C[C@H](C2CCN(C(=O)C3=CCCC3)CC2)N(C)C(=O)c2ccco2)c1.
What is the InChIKey of N-[(1R)-1-[1-(cyclopentene-1-carbonyl)piperidin-4-yl]-2-(3-methoxyphenyl)ethyl]-N-methylfuran-2-carboxamide?
The InChIKey is RAIFIXZZHVMQED-HSZRJFAPSA-N. The full InChI is InChI=1S/C26H32N2O4/c1-27(26(30)24-11-6-16-32-24)23(18-19-7-5-10-22(17-19)31-2)20-12-14-28(15-13-20)25(29)21-8-3-4-9-21/h5-8,10-11,16-17,20,23H,3-4,9,12-15,18H2,1-2H3/t23-/m1/s1.
What are the key properties of N-[(1R)-1-[1-(cyclopentene-1-carbonyl)piperidin-4-yl]-2-(3-methoxyphenyl)ethyl]-N-methylfuran-2-carboxamide?
N-[(1R)-1-[1-(cyclopentene-1-carbonyl)piperidin-4-yl]-2-(3-methoxyphenyl)ethyl]-N-methylfuran-2-carboxamide has a molecular weight of 436.55 g/mol, XLogP of 4.32, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-[1-(cyclopentene-1-carbonyl)piperidin-4-yl]-2-(3-methoxyphenyl)ethyl]-N-methylfuran-2-carboxamide is sourced from PubChem (CID 26348293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).