N-[2-(furan-2-yl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]-3-methylbenzamide

C25H29N3O3 — CID 16810004

IUPACN-[2-(furan-2-yl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]-3-methylbenzamide
SMILESCOc1ccc(N2CCN(C(CNC(=O)c3cccc(C)c3)c3ccco3)CC2)cc1
InChIInChI=1S/C25H29N3O3/c1-19-5-3-6-20(17-19)25(29)26-18-23(24-7-4-16-31-24)28-14-12-27(13-15-28)21-8-10-22(30-2)11-9-21/h3-11,16-17,23H,12-15,18H2,1-2H3,(H,26,29)
InChIKeyNDPAAYQENQGMBT-UHFFFAOYSA-N
MW419.53 g/mol
LogP3.89
Rot. Bonds7

About N-[2-(furan-2-yl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]-3-methylbenzamide

N-[2-(furan-2-yl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]-3-methylbenzamide (PubChem CID 16810004) has the molecular formula C25H29N3O3 and a molecular weight of 419.53 g/mol. Its IUPAC name is N-[2-(furan-2-yl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]-3-methylbenzamide.

Molecular Properties

Compound NameN-[2-(furan-2-yl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]-3-methylbenzamide
PubChem CID16810004
Molecular FormulaC25H29N3O3
Molecular Weight419.53 g/mol
Exact Mass419.22
IUPAC NameN-[2-(furan-2-yl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]-3-methylbenzamide
SMILESCOc1ccc(N2CCN(C(CNC(=O)c3cccc(C)c3)c3ccco3)CC2)cc1
InChIInChI=1S/C25H29N3O3/c1-19-5-3-6-20(17-19)25(29)26-18-23(24-7-4-16-31-24)28-14-12-27(13-15-28)21-8-10-22(30-2)11-9-21/h3-11,16-17,23H,12-15,18H2,1-2H3,(H,26,29)
InChIKeyNDPAAYQENQGMBT-UHFFFAOYSA-N
XLogP3.89
TPSA57.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.53
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

4-chloro-N-[(2S)-2-(furan-2-yl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]benzamide
CID 41234538
4-fluoro-N-[(2S)-2-(furan-2-yl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]benzamide
CID 7163045
N-[2-(furan-2-yl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]-2-methylpropanamide
CID 16810000
N-[(2S)-2-(furan-2-yl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]-2-methylpropanamide
CID 7163085
N-[2-(furan-2-yl)-2-morpholin-4-ylethyl]-3-methylbenzamide;hydrochloride
CID 52984760
N-[(2R)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-3-methylbenzamide
CID 26834257
N'-(2,2-dimethoxyethyl)-N-[2-(furan-2-yl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]oxamide
CID 16809973
N-[(2S)-2-(furan-2-yl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]thiophene-2-carboxamide
CID 7163049
N'-[(2R)-2-(furan-2-yl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]-N-(2-hydroxyethyl)oxamide
CID 7163027
N-[(2R)-2-(furan-2-yl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]-N'-propan-2-yloxamide
CID 7163067
N-[(2R)-2-(furan-2-yl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]cyclopropanecarboxamide
CID 7163043
N'-[(2R)-2-(furan-2-yl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]-N-[2-(4-methoxyphenyl)ethyl]oxamide
CID 41234512

Frequently Asked Questions

What is the IUPAC name of N-[2-(furan-2-yl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]-3-methylbenzamide?
The IUPAC name of N-[2-(furan-2-yl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]-3-methylbenzamide (CID 16810004) is N-[2-(furan-2-yl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]-3-methylbenzamide.
What is the SMILES notation for N-[2-(furan-2-yl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]-3-methylbenzamide?
The canonical SMILES for N-[2-(furan-2-yl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]-3-methylbenzamide is COc1ccc(N2CCN(C(CNC(=O)c3cccc(C)c3)c3ccco3)CC2)cc1.
What is the InChIKey of N-[2-(furan-2-yl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]-3-methylbenzamide?
The InChIKey is NDPAAYQENQGMBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N3O3/c1-19-5-3-6-20(17-19)25(29)26-18-23(24-7-4-16-31-24)28-14-12-27(13-15-28)21-8-10-22(30-2)11-9-21/h3-11,16-17,23H,12-15,18H2,1-2H3,(H,26,29).
What are the key properties of N-[2-(furan-2-yl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]-3-methylbenzamide?
N-[2-(furan-2-yl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]-3-methylbenzamide has a molecular weight of 419.53 g/mol, XLogP of 3.89, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(furan-2-yl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]-3-methylbenzamide is sourced from PubChem (CID 16810004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).