N-[4-[4-[2-(4-methoxyphenyl)ethyl]piperidin-1-yl]-4-oxobutyl]furan-2-carboxamide

C23H30N2O4 — CID 51288044

IUPACN-[4-[4-[2-(4-methoxyphenyl)ethyl]piperidin-1-yl]-4-oxobutyl]furan-2-carboxamide
SMILESCOc1ccc(CCC2CCN(C(=O)CCCNC(=O)c3ccco3)CC2)cc1
InChIInChI=1S/C23H30N2O4/c1-28-20-10-8-18(9-11-20)6-7-19-12-15-25(16-13-19)22(26)5-2-14-24-23(27)21-4-3-17-29-21/h3-4,8-11,17,19H,2,5-7,12-16H2,1H3,(H,24,27)
InChIKeyGNRYZGCODACRFU-UHFFFAOYSA-N
MW398.50 g/mol
LogP3.67
Rot. Bonds9

About N-[4-[4-[2-(4-methoxyphenyl)ethyl]piperidin-1-yl]-4-oxobutyl]furan-2-carboxamide

N-[4-[4-[2-(4-methoxyphenyl)ethyl]piperidin-1-yl]-4-oxobutyl]furan-2-carboxamide (PubChem CID 51288044) has the molecular formula C23H30N2O4 and a molecular weight of 398.50 g/mol. Its IUPAC name is N-[4-[4-[2-(4-methoxyphenyl)ethyl]piperidin-1-yl]-4-oxobutyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[4-[4-[2-(4-methoxyphenyl)ethyl]piperidin-1-yl]-4-oxobutyl]furan-2-carboxamide
PubChem CID51288044
Molecular FormulaC23H30N2O4
Molecular Weight398.50 g/mol
Exact Mass398.22
IUPAC NameN-[4-[4-[2-(4-methoxyphenyl)ethyl]piperidin-1-yl]-4-oxobutyl]furan-2-carboxamide
SMILESCOc1ccc(CCC2CCN(C(=O)CCCNC(=O)c3ccco3)CC2)cc1
InChIInChI=1S/C23H30N2O4/c1-28-20-10-8-18(9-11-20)6-7-19-12-15-25(16-13-19)22(26)5-2-14-24-23(27)21-4-3-17-29-21/h3-4,8-11,17,19H,2,5-7,12-16H2,1H3,(H,24,27)
InChIKeyGNRYZGCODACRFU-UHFFFAOYSA-N
XLogP3.67
TPSA71.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.50
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[4-[(3S)-3-hydroxypyrrolidin-1-yl]-4-oxobutyl]furan-2-carboxamide
CID 79030088
N-[3-[4-[(4-methoxyphenyl)methyl]-1,4-diazepan-1-yl]-3-oxopropyl]furan-2-carboxamide
CID 46410154
2-[1-[3-(furan-2-carbonylamino)propanoyl]piperidin-4-yl]-2-methoxyacetic acid
CID 154872226
6-(4-methoxyphenyl)-1-[4-(methylaminomethyl)piperidin-1-yl]hexan-1-one
CID 119544131
N-[4-(4-benzoylpiperazin-1-yl)-4-oxobutyl]furan-2-carboxamide
CID 39757861
1-[4-[2-(4-methoxyphenyl)ethyl]piperidin-1-yl]-4-(4-methylphenyl)butane-1,4-dione
CID 55465062
N-[3-[2-(4-methoxyphenyl)azepan-1-yl]-3-oxopropyl]furan-2-carboxamide
CID 42920543
N-[1-[4-(4-tert-butylphenoxy)butanoyl]piperidin-4-yl]furan-2-carboxamide
CID 108550065
N-[2-[4-[2-(4-methoxyphenyl)ethyl]piperidin-1-yl]-2-oxoethyl]-1,3-benzodioxole-5-carboxamide
CID 46669638
3-[4-(furan-2-carbonyl)piperazin-1-yl]-N-[2-(4-methoxyphenyl)ethyl]-3-oxopropanamide
CID 108948773
N-[[1-(4-methoxyphenyl)pyrrolidin-3-yl]methyl]furan-2-carboxamide
CID 110640542
N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]furan-2-carboxamide
CID 2594758

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-[2-(4-methoxyphenyl)ethyl]piperidin-1-yl]-4-oxobutyl]furan-2-carboxamide?
The IUPAC name of N-[4-[4-[2-(4-methoxyphenyl)ethyl]piperidin-1-yl]-4-oxobutyl]furan-2-carboxamide (CID 51288044) is N-[4-[4-[2-(4-methoxyphenyl)ethyl]piperidin-1-yl]-4-oxobutyl]furan-2-carboxamide.
What is the SMILES notation for N-[4-[4-[2-(4-methoxyphenyl)ethyl]piperidin-1-yl]-4-oxobutyl]furan-2-carboxamide?
The canonical SMILES for N-[4-[4-[2-(4-methoxyphenyl)ethyl]piperidin-1-yl]-4-oxobutyl]furan-2-carboxamide is COc1ccc(CCC2CCN(C(=O)CCCNC(=O)c3ccco3)CC2)cc1.
What is the InChIKey of N-[4-[4-[2-(4-methoxyphenyl)ethyl]piperidin-1-yl]-4-oxobutyl]furan-2-carboxamide?
The InChIKey is GNRYZGCODACRFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O4/c1-28-20-10-8-18(9-11-20)6-7-19-12-15-25(16-13-19)22(26)5-2-14-24-23(27)21-4-3-17-29-21/h3-4,8-11,17,19H,2,5-7,12-16H2,1H3,(H,24,27).
What are the key properties of N-[4-[4-[2-(4-methoxyphenyl)ethyl]piperidin-1-yl]-4-oxobutyl]furan-2-carboxamide?
N-[4-[4-[2-(4-methoxyphenyl)ethyl]piperidin-1-yl]-4-oxobutyl]furan-2-carboxamide has a molecular weight of 398.50 g/mol, XLogP of 3.67, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-[2-(4-methoxyphenyl)ethyl]piperidin-1-yl]-4-oxobutyl]furan-2-carboxamide is sourced from PubChem (CID 51288044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).