4-(furan-2-ylmethyl)-N-[[4-(2-methylpropoxy)phenyl]methyl]piperazine-1-carboxamide

C21H29N3O3 — CID 87036773

IUPAC4-(furan-2-ylmethyl)-N-[[4-(2-methylpropoxy)phenyl]methyl]piperazine-1-carboxamide
SMILESCC(C)COc1ccc(CNC(=O)N2CCN(Cc3ccco3)CC2)cc1
InChIInChI=1S/C21H29N3O3/c1-17(2)16-27-19-7-5-18(6-8-19)14-22-21(25)24-11-9-23(10-12-24)15-20-4-3-13-26-20/h3-8,13,17H,9-12,14-16H2,1-2H3,(H,22,25)
InChIKeyPOYUBVRQOFVWRR-UHFFFAOYSA-N
MW371.48 g/mol
LogP3.34
Rot. Bonds7

About 4-(furan-2-ylmethyl)-N-[[4-(2-methylpropoxy)phenyl]methyl]piperazine-1-carboxamide

4-(furan-2-ylmethyl)-N-[[4-(2-methylpropoxy)phenyl]methyl]piperazine-1-carboxamide (PubChem CID 87036773) has the molecular formula C21H29N3O3 and a molecular weight of 371.48 g/mol. Its IUPAC name is 4-(furan-2-ylmethyl)-N-[[4-(2-methylpropoxy)phenyl]methyl]piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(furan-2-ylmethyl)-N-[[4-(2-methylpropoxy)phenyl]methyl]piperazine-1-carboxamide
PubChem CID87036773
Molecular FormulaC21H29N3O3
Molecular Weight371.48 g/mol
Exact Mass371.22
IUPAC Name4-(furan-2-ylmethyl)-N-[[4-(2-methylpropoxy)phenyl]methyl]piperazine-1-carboxamide
SMILESCC(C)COc1ccc(CNC(=O)N2CCN(Cc3ccco3)CC2)cc1
InChIInChI=1S/C21H29N3O3/c1-17(2)16-27-19-7-5-18(6-8-19)14-22-21(25)24-11-9-23(10-12-24)15-20-4-3-13-26-20/h3-8,13,17H,9-12,14-16H2,1-2H3,(H,22,25)
InChIKeyPOYUBVRQOFVWRR-UHFFFAOYSA-N
XLogP3.34
TPSA57.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.48
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-chlorophenyl)methyl]-4-(furan-2-ylmethyl)piperazine-1-carboxamide
CID 113106373
N-[[4-(2-methylpropoxy)phenyl]methyl]furan-2-carboxamide
CID 110781155
2-(4-ethoxyphenyl)-1-[4-(furan-2-ylmethyl)piperazin-1-yl]ethanone
CID 17249513
N-[(4-fluorophenyl)methyl]-2-[4-(furan-2-ylmethyl)piperazin-1-yl]propanamide
CID 46674028
N,4-bis[(4-methoxyphenyl)methyl]piperazine-1-carboxamide
CID 27516945
N-benzyl-4-[(5-methylfuran-2-yl)methyl]piperazine-1-carboxamide
CID 176672860
4-(2-hydroxypropyl)-N-[(4-methoxyphenyl)methyl]piperazine-1-carboxamide
CID 71783478
4-(furan-2-ylmethyl)-N-(3-phenylpropyl)piperazine-1-carboxamide
CID 113106387
[5-[(4-ethoxyphenoxy)methyl]furan-2-yl]-[4-(furan-2-ylmethyl)piperazin-1-yl]methanone
CID 19572443
[4-(furan-2-carbonyl)piperazin-1-yl]-[4-(2-methylpropoxy)phenyl]methanone
CID 38911250
N-(2-tert-butylsulfanylethyl)-4-(furan-2-ylmethyl)piperazine-1-carboxamide
CID 86884757
1,3-bis[[4-(2-methylpropoxy)phenyl]methyl]urea;ethane
CID 143580549

Frequently Asked Questions

What is the IUPAC name of 4-(furan-2-ylmethyl)-N-[[4-(2-methylpropoxy)phenyl]methyl]piperazine-1-carboxamide?
The IUPAC name of 4-(furan-2-ylmethyl)-N-[[4-(2-methylpropoxy)phenyl]methyl]piperazine-1-carboxamide (CID 87036773) is 4-(furan-2-ylmethyl)-N-[[4-(2-methylpropoxy)phenyl]methyl]piperazine-1-carboxamide.
What is the SMILES notation for 4-(furan-2-ylmethyl)-N-[[4-(2-methylpropoxy)phenyl]methyl]piperazine-1-carboxamide?
The canonical SMILES for 4-(furan-2-ylmethyl)-N-[[4-(2-methylpropoxy)phenyl]methyl]piperazine-1-carboxamide is CC(C)COc1ccc(CNC(=O)N2CCN(Cc3ccco3)CC2)cc1.
What is the InChIKey of 4-(furan-2-ylmethyl)-N-[[4-(2-methylpropoxy)phenyl]methyl]piperazine-1-carboxamide?
The InChIKey is POYUBVRQOFVWRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3O3/c1-17(2)16-27-19-7-5-18(6-8-19)14-22-21(25)24-11-9-23(10-12-24)15-20-4-3-13-26-20/h3-8,13,17H,9-12,14-16H2,1-2H3,(H,22,25).
What are the key properties of 4-(furan-2-ylmethyl)-N-[[4-(2-methylpropoxy)phenyl]methyl]piperazine-1-carboxamide?
4-(furan-2-ylmethyl)-N-[[4-(2-methylpropoxy)phenyl]methyl]piperazine-1-carboxamide has a molecular weight of 371.48 g/mol, XLogP of 3.34, 7 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-(2-methylpropoxy)phenyl]methyl]piperazine-1-carboxamide is sourced from PubChem (CID 87036773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).