N-[4-[[[2-(4-benzylpiperazin-1-yl)acetyl]amino]methyl]phenyl]furan-2-carboxamide

C25H28N4O3 — CID 32731119

IUPACN-[4-[[[2-(4-benzylpiperazin-1-yl)acetyl]amino]methyl]phenyl]furan-2-carboxamide
SMILESO=C(CN1CCN(Cc2ccccc2)CC1)NCc1ccc(NC(=O)c2ccco2)cc1
InChIInChI=1S/C25H28N4O3/c30-24(19-29-14-12-28(13-15-29)18-21-5-2-1-3-6-21)26-17-20-8-10-22(11-9-20)27-25(31)23-7-4-16-32-23/h1-11,16H,12-15,17-19H2,(H,26,30)(H,27,31)
InChIKeyYHWHNCLQHKKPCS-UHFFFAOYSA-N
MW432.52 g/mol
LogP2.97
Rot. Bonds8

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

N-[4-[[[2-(4-benzylpiperazin-1-yl)acetyl]amino]methyl]phenyl]furan-2-carboxamide (PubChem CID 32731119) has the molecular formula C25H28N4O3 and a molecular weight of 432.52 g/mol. Its IUPAC name is N-[4-[[[2-(4-benzylpiperazin-1-yl)acetyl]amino]methyl]phenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[4-[[[2-(4-benzylpiperazin-1-yl)acetyl]amino]methyl]phenyl]furan-2-carboxamide
PubChem CID32731119
Molecular FormulaC25H28N4O3
Molecular Weight432.52 g/mol
Exact Mass432.22
IUPAC NameN-[4-[[[2-(4-benzylpiperazin-1-yl)acetyl]amino]methyl]phenyl]furan-2-carboxamide
SMILESO=C(CN1CCN(Cc2ccccc2)CC1)NCc1ccc(NC(=O)c2ccco2)cc1
InChIInChI=1S/C25H28N4O3/c30-24(19-29-14-12-28(13-15-29)18-21-5-2-1-3-6-21)26-17-20-8-10-22(11-9-20)27-25(31)23-7-4-16-32-23/h1-11,16H,12-15,17-19H2,(H,26,30)(H,27,31)
InChIKeyYHWHNCLQHKKPCS-UHFFFAOYSA-N
XLogP2.97
TPSA77.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.52
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-benzylpiperazin-1-yl)-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]acetamide
CID 30863248
N-[4-[(3-phenylpropanoylamino)methyl]phenyl]furan-2-carboxamide
CID 42017934
N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]furan-2-carboxamide
CID 858393
N-[4-[[[2-(2,6-dichlorophenyl)acetyl]amino]methyl]phenyl]furan-2-carboxamide
CID 18145259
N-[4-[[4-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methylcarbamoyl]phenyl]furan-2-carboxamide
CID 55845140
4-[[4-[2-oxo-2-(prop-2-enylamino)ethyl]piperazin-1-yl]methyl]-N-phenylbenzamide
CID 30662190
4-[[4-(2-anilino-2-oxoethyl)piperazin-1-yl]methyl]-N-phenylbenzamide
CID 31694826
N-[3-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]carbamoyl]phenyl]furan-2-carboxamide
CID 55843395
2-(4-benzylpiperazin-1-yl)-N-(4-fluorophenyl)acetamide
CID 847262
N-[4-[[[2-(2-hydroxyphenoxy)acetyl]amino]methyl]phenyl]furan-2-carboxamide
CID 78833691
N-[4-[[[2-(N-methylanilino)benzoyl]amino]methyl]phenyl]furan-2-carboxamide
CID 55759056
2-[4-(furan-2-carbonyl)piperazin-1-yl]-N-phenylacetamide
CID 773151

Frequently Asked Questions

What is the IUPAC name of N-[4-[[[2-(4-benzylpiperazin-1-yl)acetyl]amino]methyl]phenyl]furan-2-carboxamide?
The IUPAC name of N-[4-[[[2-(4-benzylpiperazin-1-yl)acetyl]amino]methyl]phenyl]furan-2-carboxamide (CID 32731119) is N-[4-[[[2-(4-benzylpiperazin-1-yl)acetyl]amino]methyl]phenyl]furan-2-carboxamide.
What is the SMILES notation for N-[4-[[[2-(4-benzylpiperazin-1-yl)acetyl]amino]methyl]phenyl]furan-2-carboxamide?
The canonical SMILES for N-[4-[[[2-(4-benzylpiperazin-1-yl)acetyl]amino]methyl]phenyl]furan-2-carboxamide is O=C(CN1CCN(Cc2ccccc2)CC1)NCc1ccc(NC(=O)c2ccco2)cc1.
What is the InChIKey of N-[4-[[[2-(4-benzylpiperazin-1-yl)acetyl]amino]methyl]phenyl]furan-2-carboxamide?
The InChIKey is YHWHNCLQHKKPCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N4O3/c30-24(19-29-14-12-28(13-15-29)18-21-5-2-1-3-6-21)26-17-20-8-10-22(11-9-20)27-25(31)23-7-4-16-32-23/h1-11,16H,12-15,17-19H2,(H,26,30)(H,27,31).
What are the key properties of N-[4-[[[2-(4-benzylpiperazin-1-yl)acetyl]amino]methyl]phenyl]furan-2-carboxamide?
N-[4-[[[2-(4-benzylpiperazin-1-yl)acetyl]amino]methyl]phenyl]furan-2-carboxamide has a molecular weight of 432.52 g/mol, XLogP of 2.97, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[[2-(4-benzylpiperazin-1-yl)acetyl]amino]methyl]phenyl]furan-2-carboxamide is sourced from PubChem (CID 32731119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).