[4-[5-(methoxymethyl)furan-2-carbonyl]piperazin-1-yl]-(4-phenylmethoxyphenyl)methanone

C25H26N2O5 — CID 78882516

IUPAC[4-[5-(methoxymethyl)furan-2-carbonyl]piperazin-1-yl]-(4-phenylmethoxyphenyl)methanone
SMILESCOCc1ccc(C(=O)N2CCN(C(=O)c3ccc(OCc4ccccc4)cc3)CC2)o1
InChIInChI=1S/C25H26N2O5/c1-30-18-22-11-12-23(32-22)25(29)27-15-13-26(14-16-27)24(28)20-7-9-21(10-8-20)31-17-19-5-3-2-4-6-19/h2-12H,13-18H2,1H3
InChIKeyVXSZFRBEKIYJFY-UHFFFAOYSA-N
MW434.49 g/mol
LogP3.60
Rot. Bonds7

About [4-[5-(methoxymethyl)furan-2-carbonyl]piperazin-1-yl]-(4-phenylmethoxyphenyl)methanone

[4-[5-(methoxymethyl)furan-2-carbonyl]piperazin-1-yl]-(4-phenylmethoxyphenyl)methanone (PubChem CID 78882516) has the molecular formula C25H26N2O5 and a molecular weight of 434.49 g/mol. Its IUPAC name is [4-[5-(methoxymethyl)furan-2-carbonyl]piperazin-1-yl]-(4-phenylmethoxyphenyl)methanone.

Molecular Properties

Compound Name[4-[5-(methoxymethyl)furan-2-carbonyl]piperazin-1-yl]-(4-phenylmethoxyphenyl)methanone
PubChem CID78882516
Molecular FormulaC25H26N2O5
Molecular Weight434.49 g/mol
Exact Mass434.18
IUPAC Name[4-[5-(methoxymethyl)furan-2-carbonyl]piperazin-1-yl]-(4-phenylmethoxyphenyl)methanone
SMILESCOCc1ccc(C(=O)N2CCN(C(=O)c3ccc(OCc4ccccc4)cc3)CC2)o1
InChIInChI=1S/C25H26N2O5/c1-30-18-22-11-12-23(32-22)25(29)27-15-13-26(14-16-27)24(28)20-7-9-21(10-8-20)31-17-19-5-3-2-4-6-19/h2-12H,13-18H2,1H3
InChIKeyVXSZFRBEKIYJFY-UHFFFAOYSA-N
XLogP3.60
TPSA72.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.49
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[4-[[4-[4-(4-methoxybenzoyl)piperazine-1-carbonyl]phenyl]methoxy]phenyl]-phenylmethanone
CID 87056027
azepan-1-yl-(4-phenylmethoxyphenyl)methanone
CID 4958376
[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]-[5-(methoxymethyl)furan-2-yl]methanone
CID 78829498
2-amino-3-methoxy-1-[4-(4-phenylmethoxybenzoyl)piperazin-1-yl]propan-1-one;hydrochloride
CID 120986280
[4-[5-[(4-fluorophenoxy)methyl]furan-2-carbonyl]piperazin-1-yl]-(4-propan-2-ylphenyl)methanone
CID 38029210
azepan-1-yl-[4-(phenoxymethyl)phenyl]methanone
CID 55334830
tert-butyl 4-[5-(phenoxymethyl)furan-2-carbonyl]piperazine-1-carboxylate
CID 46513396
[4-(2-methoxyphenyl)piperazin-1-yl]-(4-phenylmethoxyphenyl)methanone
CID 2994482
ethyl 4-[4-(phenoxymethyl)benzoyl]piperazine-1-carboxylate
CID 6457055
1-[4-[5-(methoxymethyl)furan-2-carbonyl]piperazin-1-yl]-2,2-dimethylpropan-1-one
CID 78852997
[4-(4-methoxybenzoyl)piperazin-1-yl]-[4-[(4-methylphenoxy)methyl]phenyl]methanone
CID 87055955
ethyl 4-[5-(methoxymethyl)furan-2-carbonyl]piperazine-1-carboxylate
CID 78833666

Frequently Asked Questions

What is the IUPAC name of [4-[5-(methoxymethyl)furan-2-carbonyl]piperazin-1-yl]-(4-phenylmethoxyphenyl)methanone?
The IUPAC name of [4-[5-(methoxymethyl)furan-2-carbonyl]piperazin-1-yl]-(4-phenylmethoxyphenyl)methanone (CID 78882516) is [4-[5-(methoxymethyl)furan-2-carbonyl]piperazin-1-yl]-(4-phenylmethoxyphenyl)methanone.
What is the SMILES notation for [4-[5-(methoxymethyl)furan-2-carbonyl]piperazin-1-yl]-(4-phenylmethoxyphenyl)methanone?
The canonical SMILES for [4-[5-(methoxymethyl)furan-2-carbonyl]piperazin-1-yl]-(4-phenylmethoxyphenyl)methanone is COCc1ccc(C(=O)N2CCN(C(=O)c3ccc(OCc4ccccc4)cc3)CC2)o1.
What is the InChIKey of [4-[5-(methoxymethyl)furan-2-carbonyl]piperazin-1-yl]-(4-phenylmethoxyphenyl)methanone?
The InChIKey is VXSZFRBEKIYJFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N2O5/c1-30-18-22-11-12-23(32-22)25(29)27-15-13-26(14-16-27)24(28)20-7-9-21(10-8-20)31-17-19-5-3-2-4-6-19/h2-12H,13-18H2,1H3.
What are the key properties of [4-[5-(methoxymethyl)furan-2-carbonyl]piperazin-1-yl]-(4-phenylmethoxyphenyl)methanone?
[4-[5-(methoxymethyl)furan-2-carbonyl]piperazin-1-yl]-(4-phenylmethoxyphenyl)methanone has a molecular weight of 434.49 g/mol, XLogP of 3.60, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[5-(methoxymethyl)furan-2-carbonyl]piperazin-1-yl]-(4-phenylmethoxyphenyl)methanone is sourced from PubChem (CID 78882516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).