2-butyl-N-[4-(2-piperidin-1-ylethoxy)phenyl]-1-benzofuran-3-carboxamide

C26H32N2O3 — CID 166366369

IUPAC2-butyl-N-[4-(2-piperidin-1-ylethoxy)phenyl]-1-benzofuran-3-carboxamide
SMILESCCCCc1oc2ccccc2c1C(=O)Nc1ccc(OCCN2CCCCC2)cc1
InChIInChI=1S/C26H32N2O3/c1-2-3-10-24-25(22-9-5-6-11-23(22)31-24)26(29)27-20-12-14-21(15-13-20)30-19-18-28-16-7-4-8-17-28/h5-6,9,11-15H,2-4,7-8,10,16-19H2,1H3,(H,27,29)
InChIKeyWPDABBXZXIIQMD-UHFFFAOYSA-N
MW420.55 g/mol
LogP5.89
Rot. Bonds9

About 2-butyl-N-[4-(2-piperidin-1-ylethoxy)phenyl]-1-benzofuran-3-carboxamide

2-butyl-N-[4-(2-piperidin-1-ylethoxy)phenyl]-1-benzofuran-3-carboxamide (PubChem CID 166366369) has the molecular formula C26H32N2O3 and a molecular weight of 420.55 g/mol. Its IUPAC name is 2-butyl-N-[4-(2-piperidin-1-ylethoxy)phenyl]-1-benzofuran-3-carboxamide.

Molecular Properties

Compound Name2-butyl-N-[4-(2-piperidin-1-ylethoxy)phenyl]-1-benzofuran-3-carboxamide
PubChem CID166366369
Molecular FormulaC26H32N2O3
Molecular Weight420.55 g/mol
Exact Mass420.24
IUPAC Name2-butyl-N-[4-(2-piperidin-1-ylethoxy)phenyl]-1-benzofuran-3-carboxamide
SMILESCCCCc1oc2ccccc2c1C(=O)Nc1ccc(OCCN2CCCCC2)cc1
InChIInChI=1S/C26H32N2O3/c1-2-3-10-24-25(22-9-5-6-11-23(22)31-24)26(29)27-20-12-14-21(15-13-20)30-19-18-28-16-7-4-8-17-28/h5-6,9,11-15H,2-4,7-8,10,16-19H2,1H3,(H,27,29)
InChIKeyWPDABBXZXIIQMD-UHFFFAOYSA-N
XLogP5.89
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.55
LogP ≤ 55.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2-butyl-1-benzofuran-3-yl)-[4-(3-piperidin-1-ylpropoxy)phenyl]methanone
CID 141302893
methyl 2-[4-[4-[(2-butyl-1-benzofuran-3-carbonyl)amino]phenyl]phenoxy]acetate
CID 131727450
2-butyl-N-(2-methyl-4-pyrrolidin-1-ylbutan-2-yl)-1-benzofuran-3-carboxamide
CID 166366311
2-butyl-N-[4-[(4-pyridin-2-ylpiperazin-1-yl)methyl]phenyl]-1-benzofuran-3-carboxamide
CID 167847342
decyl N-[4-(2-piperidin-1-ylethoxy)phenyl]carbamate;hydrochloride
CID 24836575
(2S)-N-[4-[2-(azepan-1-yl)ethoxy]phenyl]-2-methyl-2-propoxyhexanamide
CID 100741799
2-butyl-N-[3-chloro-4-[2-(dimethylamino)ethoxy]phenyl]-1-benzofuran-3-carboxamide
CID 167782612
2-butyl-N-[6-(2H-tetrazol-5-ylmethoxy)naphthalen-2-yl]-1-benzofuran-3-carboxamide
CID 10160512
2-nitro-N-[4-(2-piperidin-1-ylethoxy)phenyl]benzamide
CID 141275172
2-butyl-N-[(1-ethylazetidin-2-yl)methyl]-1-benzofuran-3-carboxamide
CID 167891012
2-(piperidin-1-ylmethyl)-1-benzofuran-3-carbohydrazide
CID 63569906
ethyl N-[4-(2-piperidin-1-ylethoxy)phenyl]carbamate;hydrochloride
CID 24836577

Frequently Asked Questions

What is the IUPAC name of 2-butyl-N-[4-(2-piperidin-1-ylethoxy)phenyl]-1-benzofuran-3-carboxamide?
The IUPAC name of 2-butyl-N-[4-(2-piperidin-1-ylethoxy)phenyl]-1-benzofuran-3-carboxamide (CID 166366369) is 2-butyl-N-[4-(2-piperidin-1-ylethoxy)phenyl]-1-benzofuran-3-carboxamide.
What is the SMILES notation for 2-butyl-N-[4-(2-piperidin-1-ylethoxy)phenyl]-1-benzofuran-3-carboxamide?
The canonical SMILES for 2-butyl-N-[4-(2-piperidin-1-ylethoxy)phenyl]-1-benzofuran-3-carboxamide is CCCCc1oc2ccccc2c1C(=O)Nc1ccc(OCCN2CCCCC2)cc1.
What is the InChIKey of 2-butyl-N-[4-(2-piperidin-1-ylethoxy)phenyl]-1-benzofuran-3-carboxamide?
The InChIKey is WPDABBXZXIIQMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N2O3/c1-2-3-10-24-25(22-9-5-6-11-23(22)31-24)26(29)27-20-12-14-21(15-13-20)30-19-18-28-16-7-4-8-17-28/h5-6,9,11-15H,2-4,7-8,10,16-19H2,1H3,(H,27,29).
What are the key properties of 2-butyl-N-[4-(2-piperidin-1-ylethoxy)phenyl]-1-benzofuran-3-carboxamide?
2-butyl-N-[4-(2-piperidin-1-ylethoxy)phenyl]-1-benzofuran-3-carboxamide has a molecular weight of 420.55 g/mol, XLogP of 5.89, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-N-[4-(2-piperidin-1-ylethoxy)phenyl]-1-benzofuran-3-carboxamide is sourced from PubChem (CID 166366369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).