4-(furan-2-ylmethyl)-N-[(4-phenyloxan-4-yl)methyl]piperazine-1-carboxamide

C22H29N3O3 — CID 119070855

IUPAC4-(furan-2-ylmethyl)-N-[(4-phenyloxan-4-yl)methyl]piperazine-1-carboxamide
SMILESO=C(NCC1(c2ccccc2)CCOCC1)N1CCN(Cc2ccco2)CC1
InChIInChI=1S/C22H29N3O3/c26-21(25-12-10-24(11-13-25)17-20-7-4-14-28-20)23-18-22(8-15-27-16-9-22)19-5-2-1-3-6-19/h1-7,14H,8-13,15-18H2,(H,23,26)
InChIKeyGGOHLLFMGVZIDE-UHFFFAOYSA-N
MW383.49 g/mol
LogP2.86
Rot. Bonds5

About 4-(furan-2-ylmethyl)-N-[(4-phenyloxan-4-yl)methyl]piperazine-1-carboxamide

4-(furan-2-ylmethyl)-N-[(4-phenyloxan-4-yl)methyl]piperazine-1-carboxamide (PubChem CID 119070855) has the molecular formula C22H29N3O3 and a molecular weight of 383.49 g/mol. Its IUPAC name is 4-(furan-2-ylmethyl)-N-[(4-phenyloxan-4-yl)methyl]piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(furan-2-ylmethyl)-N-[(4-phenyloxan-4-yl)methyl]piperazine-1-carboxamide
PubChem CID119070855
Molecular FormulaC22H29N3O3
Molecular Weight383.49 g/mol
Exact Mass383.22
IUPAC Name4-(furan-2-ylmethyl)-N-[(4-phenyloxan-4-yl)methyl]piperazine-1-carboxamide
SMILESO=C(NCC1(c2ccccc2)CCOCC1)N1CCN(Cc2ccco2)CC1
InChIInChI=1S/C22H29N3O3/c26-21(25-12-10-24(11-13-25)17-20-7-4-14-28-20)23-18-22(8-15-27-16-9-22)19-5-2-1-3-6-19/h1-7,14H,8-13,15-18H2,(H,23,26)
InChIKeyGGOHLLFMGVZIDE-UHFFFAOYSA-N
XLogP2.86
TPSA57.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.49
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(furan-2-ylmethyl)-N-(3-phenylpropyl)piperazine-1-carboxamide
CID 113106387
3-(hydroxymethyl)-N-[(4-phenyloxan-4-yl)methyl]pyrrolidine-1-carboxamide
CID 111443730
4-(furan-2-ylmethyl)-N-(oxolan-3-ylmethyl)piperazine-1-carboxamide
CID 53498467
N-[(1-phenylcyclopropyl)methyl]-4-(2,2,2-trifluoroethyl)-1,4-diazepane-1-carboxamide
CID 87003007
N-(2-tert-butylsulfanylethyl)-4-(furan-2-ylmethyl)piperazine-1-carboxamide
CID 86884757
N-[(1-phenylcyclopropyl)methyl]-4-(1,3-thiazol-4-ylmethyl)piperazine-1-carboxamide
CID 51125406
N-[(4-chlorophenyl)methyl]-4-(furan-2-ylmethyl)piperazine-1-carboxamide
CID 113106373
2-oxo-N-[(4-phenyloxan-4-yl)methyl]imidazolidine-1-carboxamide
CID 71806728
N-[[4-(3-bromophenyl)oxan-4-yl]methyl]-3-(furan-2-yl)propanamide
CID 55890019
3-[4-(furan-2-ylmethyl)piperazin-1-yl]oxolane-3-carboxylic acid
CID 154796437
N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-4-(furan-2-ylmethyl)piperazine-1-carboxamide;formic acid
CID 154908208
N-[(4-phenyloxan-4-yl)methyl]-2-phenylsulfanylacetamide
CID 75538689

Frequently Asked Questions

What is the IUPAC name of 4-(furan-2-ylmethyl)-N-[(4-phenyloxan-4-yl)methyl]piperazine-1-carboxamide?
The IUPAC name of 4-(furan-2-ylmethyl)-N-[(4-phenyloxan-4-yl)methyl]piperazine-1-carboxamide (CID 119070855) is 4-(furan-2-ylmethyl)-N-[(4-phenyloxan-4-yl)methyl]piperazine-1-carboxamide.
What is the SMILES notation for 4-(furan-2-ylmethyl)-N-[(4-phenyloxan-4-yl)methyl]piperazine-1-carboxamide?
The canonical SMILES for 4-(furan-2-ylmethyl)-N-[(4-phenyloxan-4-yl)methyl]piperazine-1-carboxamide is O=C(NCC1(c2ccccc2)CCOCC1)N1CCN(Cc2ccco2)CC1.
What is the InChIKey of 4-(furan-2-ylmethyl)-N-[(4-phenyloxan-4-yl)methyl]piperazine-1-carboxamide?
The InChIKey is GGOHLLFMGVZIDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O3/c26-21(25-12-10-24(11-13-25)17-20-7-4-14-28-20)23-18-22(8-15-27-16-9-22)19-5-2-1-3-6-19/h1-7,14H,8-13,15-18H2,(H,23,26).
What are the key properties of 4-(furan-2-ylmethyl)-N-[(4-phenyloxan-4-yl)methyl]piperazine-1-carboxamide?
4-(furan-2-ylmethyl)-N-[(4-phenyloxan-4-yl)methyl]piperazine-1-carboxamide has a molecular weight of 383.49 g/mol, XLogP of 2.86, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(furan-2-ylmethyl)-N-[(4-phenyloxan-4-yl)methyl]piperazine-1-carboxamide is sourced from PubChem (CID 119070855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).