2-butyl-N-[4-[(4-pyridin-2-ylpiperazin-1-yl)methyl]phenyl]-1-benzofuran-3-carboxamide

C29H32N4O2 — CID 167847342

IUPAC2-butyl-N-[4-[(4-pyridin-2-ylpiperazin-1-yl)methyl]phenyl]-1-benzofuran-3-carboxamide
SMILESCCCCc1oc2ccccc2c1C(=O)Nc1ccc(CN2CCN(c3ccccn3)CC2)cc1
InChIInChI=1S/C29H32N4O2/c1-2-3-9-26-28(24-8-4-5-10-25(24)35-26)29(34)31-23-14-12-22(13-15-23)21-32-17-19-33(20-18-32)27-11-6-7-16-30-27/h4-8,10-16H,2-3,9,17-21H2,1H3,(H,31,34)
InChIKeyVKNQTBNGVOZCRF-UHFFFAOYSA-N
MW468.60 g/mol
LogP5.74
Rot. Bonds8

About 2-butyl-N-[4-[(4-pyridin-2-ylpiperazin-1-yl)methyl]phenyl]-1-benzofuran-3-carboxamide

2-butyl-N-[4-[(4-pyridin-2-ylpiperazin-1-yl)methyl]phenyl]-1-benzofuran-3-carboxamide (PubChem CID 167847342) has the molecular formula C29H32N4O2 and a molecular weight of 468.60 g/mol. Its IUPAC name is 2-butyl-N-[4-[(4-pyridin-2-ylpiperazin-1-yl)methyl]phenyl]-1-benzofuran-3-carboxamide.

Molecular Properties

Compound Name2-butyl-N-[4-[(4-pyridin-2-ylpiperazin-1-yl)methyl]phenyl]-1-benzofuran-3-carboxamide
PubChem CID167847342
Molecular FormulaC29H32N4O2
Molecular Weight468.60 g/mol
Exact Mass468.25
IUPAC Name2-butyl-N-[4-[(4-pyridin-2-ylpiperazin-1-yl)methyl]phenyl]-1-benzofuran-3-carboxamide
SMILESCCCCc1oc2ccccc2c1C(=O)Nc1ccc(CN2CCN(c3ccccn3)CC2)cc1
InChIInChI=1S/C29H32N4O2/c1-2-3-9-26-28(24-8-4-5-10-25(24)35-26)29(34)31-23-14-12-22(13-15-23)21-32-17-19-33(20-18-32)27-11-6-7-16-30-27/h4-8,10-16H,2-3,9,17-21H2,1H3,(H,31,34)
InChIKeyVKNQTBNGVOZCRF-UHFFFAOYSA-N
XLogP5.74
TPSA61.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.60
LogP ≤ 55.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-butyl-N-[4-(2-piperidin-1-ylethoxy)phenyl]-1-benzofuran-3-carboxamide
CID 166366369
(2S)-2-amino-N-[4-[(4-pyridin-2-ylpiperazin-1-yl)methyl]phenyl]butanamide
CID 119902638
N-[[4-[(4-pyridin-2-ylpiperazin-1-yl)methyl]phenyl]methyl]ethanamine
CID 174676265
(4-chlorophenyl)methyl N-[4-[(4-pyridin-2-ylpiperazin-1-yl)methyl]phenyl]carbamate
CID 171824774
(4-methoxyphenyl)methyl N-[4-[(4-pyridin-2-ylpiperazin-1-yl)methyl]phenyl]carbamate
CID 171824521
2-butyl-N-[3-(3-hydroxypropyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-1-benzofuran-3-carboxamide
CID 167908945
2-butyl-N-[(1-ethylazetidin-2-yl)methyl]-1-benzofuran-3-carboxamide
CID 167891012
2-butyl-N-(2-methyl-4-pyrrolidin-1-ylbutan-2-yl)-1-benzofuran-3-carboxamide
CID 166366311
[4-[[4-(piperidin-1-ylmethyl)benzoyl]amino]phenyl] 4-pyridin-2-ylpiperazine-1-carboxylate
CID 11386471
(4-butylphenyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 17217519
N-(4-methylphenyl)-3-(4-pyridin-2-ylpiperazin-1-yl)propanamide
CID 109030344
1-[(4-iodophenyl)methyl]-4-pyridin-2-ylpiperazine
CID 65477740

Frequently Asked Questions

What is the IUPAC name of 2-butyl-N-[4-[(4-pyridin-2-ylpiperazin-1-yl)methyl]phenyl]-1-benzofuran-3-carboxamide?
The IUPAC name of 2-butyl-N-[4-[(4-pyridin-2-ylpiperazin-1-yl)methyl]phenyl]-1-benzofuran-3-carboxamide (CID 167847342) is 2-butyl-N-[4-[(4-pyridin-2-ylpiperazin-1-yl)methyl]phenyl]-1-benzofuran-3-carboxamide.
What is the SMILES notation for 2-butyl-N-[4-[(4-pyridin-2-ylpiperazin-1-yl)methyl]phenyl]-1-benzofuran-3-carboxamide?
The canonical SMILES for 2-butyl-N-[4-[(4-pyridin-2-ylpiperazin-1-yl)methyl]phenyl]-1-benzofuran-3-carboxamide is CCCCc1oc2ccccc2c1C(=O)Nc1ccc(CN2CCN(c3ccccn3)CC2)cc1.
What is the InChIKey of 2-butyl-N-[4-[(4-pyridin-2-ylpiperazin-1-yl)methyl]phenyl]-1-benzofuran-3-carboxamide?
The InChIKey is VKNQTBNGVOZCRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H32N4O2/c1-2-3-9-26-28(24-8-4-5-10-25(24)35-26)29(34)31-23-14-12-22(13-15-23)21-32-17-19-33(20-18-32)27-11-6-7-16-30-27/h4-8,10-16H,2-3,9,17-21H2,1H3,(H,31,34).
What are the key properties of 2-butyl-N-[4-[(4-pyridin-2-ylpiperazin-1-yl)methyl]phenyl]-1-benzofuran-3-carboxamide?
2-butyl-N-[4-[(4-pyridin-2-ylpiperazin-1-yl)methyl]phenyl]-1-benzofuran-3-carboxamide has a molecular weight of 468.60 g/mol, XLogP of 5.74, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-N-[4-[(4-pyridin-2-ylpiperazin-1-yl)methyl]phenyl]-1-benzofuran-3-carboxamide is sourced from PubChem (CID 167847342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).