N-[1-(5-methylfuran-2-yl)ethyl]-4-(2-phenoxyethyl)piperazine-1-carboxamide

C20H27N3O3 — CID 87000126

IUPACN-[1-(5-methylfuran-2-yl)ethyl]-4-(2-phenoxyethyl)piperazine-1-carboxamide
SMILESCc1ccc(C(C)NC(=O)N2CCN(CCOc3ccccc3)CC2)o1
InChIInChI=1S/C20H27N3O3/c1-16-8-9-19(26-16)17(2)21-20(24)23-12-10-22(11-13-23)14-15-25-18-6-4-3-5-7-18/h3-9,17H,10-15H2,1-2H3,(H,21,24)
InChIKeyRZKSLWDINYLRMB-UHFFFAOYSA-N
MW357.45 g/mol
LogP3.06
Rot. Bonds6

About N-[1-(5-methylfuran-2-yl)ethyl]-4-(2-phenoxyethyl)piperazine-1-carboxamide

N-[1-(5-methylfuran-2-yl)ethyl]-4-(2-phenoxyethyl)piperazine-1-carboxamide (PubChem CID 87000126) has the molecular formula C20H27N3O3 and a molecular weight of 357.45 g/mol. Its IUPAC name is N-[1-(5-methylfuran-2-yl)ethyl]-4-(2-phenoxyethyl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-[1-(5-methylfuran-2-yl)ethyl]-4-(2-phenoxyethyl)piperazine-1-carboxamide
PubChem CID87000126
Molecular FormulaC20H27N3O3
Molecular Weight357.45 g/mol
Exact Mass357.21
IUPAC NameN-[1-(5-methylfuran-2-yl)ethyl]-4-(2-phenoxyethyl)piperazine-1-carboxamide
SMILESCc1ccc(C(C)NC(=O)N2CCN(CCOc3ccccc3)CC2)o1
InChIInChI=1S/C20H27N3O3/c1-16-8-9-19(26-16)17(2)21-20(24)23-12-10-22(11-13-23)14-15-25-18-6-4-3-5-7-18/h3-9,17H,10-15H2,1-2H3,(H,21,24)
InChIKeyRZKSLWDINYLRMB-UHFFFAOYSA-N
XLogP3.06
TPSA57.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.45
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-butan-2-yl-4-[2-(4-methoxyphenoxy)ethyl]piperazine-1-carboxamide
CID 113104323
4-[2-(4-methylphenoxy)ethyl]-N-phenylpiperazine-1-carboxamide
CID 110638151
4-(2-phenoxyethyl)-N-[(1S)-1-pyridin-4-ylpropyl]piperazine-1-carboxamide
CID 124608403
(2R)-2-[4-(2-phenoxyethyl)piperazin-1-yl]-N-propan-2-ylpropanamide
CID 9348561
4-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-N-[1-(5-methylfuran-2-yl)ethyl]piperazine-1-carboxamide
CID 87000118
4-methyl-N-[1-(5-methylfuran-2-yl)ethyl]piperidine-1-carboxamide
CID 115583197
1-[4-[2-(4-methylphenoxy)ethyl]piperazin-1-yl]-3-phenoxypropan-1-one
CID 110638149
1-[4-(2-phenoxyethyl)piperazin-1-yl]-2-propan-2-ylsulfanylethanone
CID 91788757
N-(2,5-dimethylpyrazol-3-yl)-4-(2-phenoxyethyl)piperazine-1-carboxamide
CID 72843451
N-[(2R)-3-methylbutan-2-yl]-2-[4-(2-phenoxyethyl)piperazin-1-yl]acetamide
CID 30986083
4-(2-morpholin-4-ylethyl)-N-(1-phenylethyl)piperazine-1-carboxamide
CID 113105903
4-(2-phenoxyethyl)-N-pyridin-2-ylpiperazine-1-carboxamide
CID 87011077

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-methylfuran-2-yl)ethyl]-4-(2-phenoxyethyl)piperazine-1-carboxamide?
The IUPAC name of N-[1-(5-methylfuran-2-yl)ethyl]-4-(2-phenoxyethyl)piperazine-1-carboxamide (CID 87000126) is N-[1-(5-methylfuran-2-yl)ethyl]-4-(2-phenoxyethyl)piperazine-1-carboxamide.
What is the SMILES notation for N-[1-(5-methylfuran-2-yl)ethyl]-4-(2-phenoxyethyl)piperazine-1-carboxamide?
The canonical SMILES for N-[1-(5-methylfuran-2-yl)ethyl]-4-(2-phenoxyethyl)piperazine-1-carboxamide is Cc1ccc(C(C)NC(=O)N2CCN(CCOc3ccccc3)CC2)o1.
What is the InChIKey of N-[1-(5-methylfuran-2-yl)ethyl]-4-(2-phenoxyethyl)piperazine-1-carboxamide?
The InChIKey is RZKSLWDINYLRMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O3/c1-16-8-9-19(26-16)17(2)21-20(24)23-12-10-22(11-13-23)14-15-25-18-6-4-3-5-7-18/h3-9,17H,10-15H2,1-2H3,(H,21,24).
What are the key properties of N-[1-(5-methylfuran-2-yl)ethyl]-4-(2-phenoxyethyl)piperazine-1-carboxamide?
N-[1-(5-methylfuran-2-yl)ethyl]-4-(2-phenoxyethyl)piperazine-1-carboxamide has a molecular weight of 357.45 g/mol, XLogP of 3.06, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-methylfuran-2-yl)ethyl]-4-(2-phenoxyethyl)piperazine-1-carboxamide is sourced from PubChem (CID 87000126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).