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

C20H27N3O3 — CID 78840822

IUPACN-[2-(4-benzylpiperazin-1-yl)ethyl]-5-(methoxymethyl)furan-2-carboxamide
SMILESCOCc1ccc(C(=O)NCCN2CCN(Cc3ccccc3)CC2)o1
InChIInChI=1S/C20H27N3O3/c1-25-16-18-7-8-19(26-18)20(24)21-9-10-22-11-13-23(14-12-22)15-17-5-3-2-4-6-17/h2-8H,9-16H2,1H3,(H,21,24)
InChIKeyIKSQVPHYFLEYCE-UHFFFAOYSA-N
MW357.45 g/mol
LogP1.97
Rot. Bonds8

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

N-[2-(4-benzylpiperazin-1-yl)ethyl]-5-(methoxymethyl)furan-2-carboxamide (PubChem CID 78840822) has the molecular formula C20H27N3O3 and a molecular weight of 357.45 g/mol. Its IUPAC name is N-[2-(4-benzylpiperazin-1-yl)ethyl]-5-(methoxymethyl)furan-2-carboxamide.

Molecular Properties

Compound NameN-[2-(4-benzylpiperazin-1-yl)ethyl]-5-(methoxymethyl)furan-2-carboxamide
PubChem CID78840822
Molecular FormulaC20H27N3O3
Molecular Weight357.45 g/mol
Exact Mass357.21
IUPAC NameN-[2-(4-benzylpiperazin-1-yl)ethyl]-5-(methoxymethyl)furan-2-carboxamide
SMILESCOCc1ccc(C(=O)NCCN2CCN(Cc3ccccc3)CC2)o1
InChIInChI=1S/C20H27N3O3/c1-25-16-18-7-8-19(26-18)20(24)21-9-10-22-11-13-23(14-12-22)15-17-5-3-2-4-6-17/h2-8H,9-16H2,1H3,(H,21,24)
InChIKeyIKSQVPHYFLEYCE-UHFFFAOYSA-N
XLogP1.97
TPSA57.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.45
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-[(4-benzylpiperazin-1-yl)methyl]phenyl]-5-(methoxymethyl)furan-2-carboxamide
CID 78888813
5-(phenoxymethyl)-N-[2-(4-phenylpiperazin-1-yl)ethyl]furan-2-carboxamide
CID 43066958
N-benzyl-5-[(4-benzylpiperazin-1-yl)methyl]furan-2-carboxamide
CID 46055527
N-[3-(4-hydroxypiperidin-1-yl)propyl]-5-(methoxymethyl)furan-2-carboxamide
CID 111434009
N-[2-(4-benzylpiperazin-1-yl)ethyl]-4-methoxybenzamide
CID 39985567
5-(methoxymethyl)-N-[2-(methylamino)ethyl]furan-2-carboxamide;hydrochloride
CID 119500596
N-[2-(2-methoxyethoxy)ethyl]-5-(methoxymethyl)furan-2-carboxamide
CID 78874120
N-[2-(4-benzylpiperazin-1-yl)ethyl]-3-methylfuran-2-carboxamide
CID 39302279
5-[(2,6-dimethylphenoxy)methyl]-N-(2-morpholin-4-ylethyl)furan-2-carboxamide
CID 19446953
(2R)-N-[2-(4-benzylpiperazin-1-yl)ethyl]-2-phenylmethoxypropanamide
CID 39301136
N-[2-(4-benzylpiperazin-1-yl)ethyl]-2,2-dimethylpropanamide
CID 39984129
5-(methoxymethyl)-N-phenylmethoxyfuran-2-carboxamide
CID 78827585

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-benzylpiperazin-1-yl)ethyl]-5-(methoxymethyl)furan-2-carboxamide?
The IUPAC name of N-[2-(4-benzylpiperazin-1-yl)ethyl]-5-(methoxymethyl)furan-2-carboxamide (CID 78840822) is N-[2-(4-benzylpiperazin-1-yl)ethyl]-5-(methoxymethyl)furan-2-carboxamide.
What is the SMILES notation for N-[2-(4-benzylpiperazin-1-yl)ethyl]-5-(methoxymethyl)furan-2-carboxamide?
The canonical SMILES for N-[2-(4-benzylpiperazin-1-yl)ethyl]-5-(methoxymethyl)furan-2-carboxamide is COCc1ccc(C(=O)NCCN2CCN(Cc3ccccc3)CC2)o1.
What is the InChIKey of N-[2-(4-benzylpiperazin-1-yl)ethyl]-5-(methoxymethyl)furan-2-carboxamide?
The InChIKey is IKSQVPHYFLEYCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O3/c1-25-16-18-7-8-19(26-18)20(24)21-9-10-22-11-13-23(14-12-22)15-17-5-3-2-4-6-17/h2-8H,9-16H2,1H3,(H,21,24).
What are the key properties of N-[2-(4-benzylpiperazin-1-yl)ethyl]-5-(methoxymethyl)furan-2-carboxamide?
N-[2-(4-benzylpiperazin-1-yl)ethyl]-5-(methoxymethyl)furan-2-carboxamide has a molecular weight of 357.45 g/mol, XLogP of 1.97, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-benzylpiperazin-1-yl)ethyl]-5-(methoxymethyl)furan-2-carboxamide is sourced from PubChem (CID 78840822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).