N-[4-[(4-benzylpiperazin-1-yl)methyl]phenyl]-5-(methoxymethyl)furan-2-carboxamide

C25H29N3O3 — CID 78888813

IUPACN-[4-[(4-benzylpiperazin-1-yl)methyl]phenyl]-5-(methoxymethyl)furan-2-carboxamide
SMILESCOCc1ccc(C(=O)Nc2ccc(CN3CCN(Cc4ccccc4)CC3)cc2)o1
InChIInChI=1S/C25H29N3O3/c1-30-19-23-11-12-24(31-23)25(29)26-22-9-7-21(8-10-22)18-28-15-13-27(14-16-28)17-20-5-3-2-4-6-20/h2-12H,13-19H2,1H3,(H,26,29)
InChIKeyJJTMKMCYRCRRJM-UHFFFAOYSA-N
MW419.53 g/mol
LogP4.00
Rot. Bonds8

About N-[4-[(4-benzylpiperazin-1-yl)methyl]phenyl]-5-(methoxymethyl)furan-2-carboxamide

N-[4-[(4-benzylpiperazin-1-yl)methyl]phenyl]-5-(methoxymethyl)furan-2-carboxamide (PubChem CID 78888813) has the molecular formula C25H29N3O3 and a molecular weight of 419.53 g/mol. Its IUPAC name is N-[4-[(4-benzylpiperazin-1-yl)methyl]phenyl]-5-(methoxymethyl)furan-2-carboxamide.

Molecular Properties

Compound NameN-[4-[(4-benzylpiperazin-1-yl)methyl]phenyl]-5-(methoxymethyl)furan-2-carboxamide
PubChem CID78888813
Molecular FormulaC25H29N3O3
Molecular Weight419.53 g/mol
Exact Mass419.22
IUPAC NameN-[4-[(4-benzylpiperazin-1-yl)methyl]phenyl]-5-(methoxymethyl)furan-2-carboxamide
SMILESCOCc1ccc(C(=O)Nc2ccc(CN3CCN(Cc4ccccc4)CC3)cc2)o1
InChIInChI=1S/C25H29N3O3/c1-30-19-23-11-12-24(31-23)25(29)26-22-9-7-21(8-10-22)18-28-15-13-27(14-16-28)17-20-5-3-2-4-6-20/h2-12H,13-19H2,1H3,(H,26,29)
InChIKeyJJTMKMCYRCRRJM-UHFFFAOYSA-N
XLogP4.00
TPSA57.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.53
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(4-benzylpiperazin-1-yl)ethyl]-5-(methoxymethyl)furan-2-carboxamide
CID 78840822
5-[(4-methoxyphenoxy)methyl]-N-[4-(piperidin-1-ylmethyl)phenyl]furan-2-carboxamide
CID 19451165
3-[4-[[5-(methoxymethyl)furan-2-carbonyl]amino]phenyl]-2-methylpropanoic acid
CID 120541443
N-[4-(diethylamino)phenyl]-5-(methoxymethyl)furan-2-carboxamide
CID 30838668
N-[4-[(4-acetylpiperazin-1-yl)methyl]phenyl]-5-[(2-oxo-1-pyridinyl)methyl]furan-2-carboxamide
CID 75446828
N-(9H-fluoren-2-yl)-5-(methoxymethyl)furan-2-carboxamide
CID 86912034
N-benzyl-5-[(4-benzylpiperazin-1-yl)methyl]furan-2-carboxamide
CID 46055527
N-[4-(benzimidazol-1-yl)phenyl]-5-(methoxymethyl)furan-2-carboxamide
CID 86912094
5-(methoxymethyl)-N-phenylmethoxyfuran-2-carboxamide
CID 78827585
N-(4-chloro-3-fluorophenyl)-5-(methoxymethyl)furan-2-carboxamide
CID 78882500
5-bromo-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]furan-2-carboxamide
CID 108765983
5-[(4-methoxyphenoxy)methyl]-N-[3-(morpholin-4-ylmethyl)phenyl]furan-2-carboxamide
CID 19451164

Frequently Asked Questions

What is the IUPAC name of N-[4-[(4-benzylpiperazin-1-yl)methyl]phenyl]-5-(methoxymethyl)furan-2-carboxamide?
The IUPAC name of N-[4-[(4-benzylpiperazin-1-yl)methyl]phenyl]-5-(methoxymethyl)furan-2-carboxamide (CID 78888813) is N-[4-[(4-benzylpiperazin-1-yl)methyl]phenyl]-5-(methoxymethyl)furan-2-carboxamide.
What is the SMILES notation for N-[4-[(4-benzylpiperazin-1-yl)methyl]phenyl]-5-(methoxymethyl)furan-2-carboxamide?
The canonical SMILES for N-[4-[(4-benzylpiperazin-1-yl)methyl]phenyl]-5-(methoxymethyl)furan-2-carboxamide is COCc1ccc(C(=O)Nc2ccc(CN3CCN(Cc4ccccc4)CC3)cc2)o1.
What is the InChIKey of N-[4-[(4-benzylpiperazin-1-yl)methyl]phenyl]-5-(methoxymethyl)furan-2-carboxamide?
The InChIKey is JJTMKMCYRCRRJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N3O3/c1-30-19-23-11-12-24(31-23)25(29)26-22-9-7-21(8-10-22)18-28-15-13-27(14-16-28)17-20-5-3-2-4-6-20/h2-12H,13-19H2,1H3,(H,26,29).
What are the key properties of N-[4-[(4-benzylpiperazin-1-yl)methyl]phenyl]-5-(methoxymethyl)furan-2-carboxamide?
N-[4-[(4-benzylpiperazin-1-yl)methyl]phenyl]-5-(methoxymethyl)furan-2-carboxamide has a molecular weight of 419.53 g/mol, XLogP of 4.00, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(4-benzylpiperazin-1-yl)methyl]phenyl]-5-(methoxymethyl)furan-2-carboxamide is sourced from PubChem (CID 78888813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).