[4-[3-[[4-(furan-2-carbonyl)piperazin-1-yl]methyl]phenoxy]piperidin-1-yl]-(4-methylphenyl)methanone

C29H33N3O4 — CID 26340438

IUPAC[4-[3-[[4-(furan-2-carbonyl)piperazin-1-yl]methyl]phenoxy]piperidin-1-yl]-(4-methylphenyl)methanone
SMILESCc1ccc(C(=O)N2CCC(Oc3cccc(CN4CCN(C(=O)c5ccco5)CC4)c3)CC2)cc1
InChIInChI=1S/C29H33N3O4/c1-22-7-9-24(10-8-22)28(33)31-13-11-25(12-14-31)36-26-5-2-4-23(20-26)21-30-15-17-32(18-16-30)29(34)27-6-3-19-35-27/h2-10,19-20,25H,11-18,21H2,1H3
InChIKeyCXRXIYCZMCXXQO-UHFFFAOYSA-N
MW487.60 g/mol
LogP4.23
Rot. Bonds6

About [4-[3-[[4-(furan-2-carbonyl)piperazin-1-yl]methyl]phenoxy]piperidin-1-yl]-(4-methylphenyl)methanone

[4-[3-[[4-(furan-2-carbonyl)piperazin-1-yl]methyl]phenoxy]piperidin-1-yl]-(4-methylphenyl)methanone (PubChem CID 26340438) has the molecular formula C29H33N3O4 and a molecular weight of 487.60 g/mol. Its IUPAC name is [4-[3-[[4-(furan-2-carbonyl)piperazin-1-yl]methyl]phenoxy]piperidin-1-yl]-(4-methylphenyl)methanone.

Molecular Properties

Compound Name[4-[3-[[4-(furan-2-carbonyl)piperazin-1-yl]methyl]phenoxy]piperidin-1-yl]-(4-methylphenyl)methanone
PubChem CID26340438
Molecular FormulaC29H33N3O4
Molecular Weight487.60 g/mol
Exact Mass487.25
IUPAC Name[4-[3-[[4-(furan-2-carbonyl)piperazin-1-yl]methyl]phenoxy]piperidin-1-yl]-(4-methylphenyl)methanone
SMILESCc1ccc(C(=O)N2CCC(Oc3cccc(CN4CCN(C(=O)c5ccco5)CC4)c3)CC2)cc1
InChIInChI=1S/C29H33N3O4/c1-22-7-9-24(10-8-22)28(33)31-13-11-25(12-14-31)36-26-5-2-4-23(20-26)21-30-15-17-32(18-16-30)29(34)27-6-3-19-35-27/h2-10,19-20,25H,11-18,21H2,1H3
InChIKeyCXRXIYCZMCXXQO-UHFFFAOYSA-N
XLogP4.23
TPSA66.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.60
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [4-[3-[[4-(furan-2-carbonyl)piperazin-1-yl]methyl]phenoxy]piperidin-1-yl]-(4-methylphenyl)methanone with MolForge

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Related Compounds

1-[4-[[4-methoxy-3-[1-[4-(4-methylphenyl)benzoyl]piperidin-4-yl]oxyphenyl]methyl]piperazin-1-yl]ethanone
CID 45202370
3-[4-(furan-2-carbonyl)piperazin-1-yl]-1-(4-methylphenyl)propan-1-one
CID 86799659
furan-2-yl-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]methanone
CID 648203
[4-(4-methylphenoxy)piperidin-1-yl]-phenylmethanone
CID 110397046
[4-[1-[(3-fluorophenyl)methyl]piperidin-4-yl]oxyphenyl]-piperidin-1-ylmethanone
CID 24790458
[2-[4-[(3-methoxyphenyl)methyl]piperazine-1-carbonyl]phenyl]-(4-methylphenyl)methanone
CID 19323262
(E)-1-[4-(furan-2-carbonyl)piperazin-1-yl]-4-methyl-3-(4-methylphenyl)pent-2-en-1-one
CID 110414452
N-[1-(furan-2-carbonyl)piperidin-4-yl]-4-methylbenzamide
CID 16613592
3-[[4-(furan-2-carbonyl)piperazin-1-yl]methyl]-N-(2-methoxyethyl)benzamide
CID 46055929
(4-fluorophenyl)-[4-[(3-methylphenyl)methyl]piperazin-1-yl]methanone
CID 828785
methyl 4-[[4-[3-(morpholine-4-carbonyl)phenoxy]piperidin-1-yl]methyl]benzoate
CID 24791164
(4-benzyl-1,4-diazepan-1-yl)-(4-methylphenyl)methanone
CID 23738787

Frequently Asked Questions

What is the IUPAC name of [4-[3-[[4-(furan-2-carbonyl)piperazin-1-yl]methyl]phenoxy]piperidin-1-yl]-(4-methylphenyl)methanone?
The IUPAC name of [4-[3-[[4-(furan-2-carbonyl)piperazin-1-yl]methyl]phenoxy]piperidin-1-yl]-(4-methylphenyl)methanone (CID 26340438) is [4-[3-[[4-(furan-2-carbonyl)piperazin-1-yl]methyl]phenoxy]piperidin-1-yl]-(4-methylphenyl)methanone.
What is the SMILES notation for [4-[3-[[4-(furan-2-carbonyl)piperazin-1-yl]methyl]phenoxy]piperidin-1-yl]-(4-methylphenyl)methanone?
The canonical SMILES for [4-[3-[[4-(furan-2-carbonyl)piperazin-1-yl]methyl]phenoxy]piperidin-1-yl]-(4-methylphenyl)methanone is Cc1ccc(C(=O)N2CCC(Oc3cccc(CN4CCN(C(=O)c5ccco5)CC4)c3)CC2)cc1.
What is the InChIKey of [4-[3-[[4-(furan-2-carbonyl)piperazin-1-yl]methyl]phenoxy]piperidin-1-yl]-(4-methylphenyl)methanone?
The InChIKey is CXRXIYCZMCXXQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H33N3O4/c1-22-7-9-24(10-8-22)28(33)31-13-11-25(12-14-31)36-26-5-2-4-23(20-26)21-30-15-17-32(18-16-30)29(34)27-6-3-19-35-27/h2-10,19-20,25H,11-18,21H2,1H3.
What are the key properties of [4-[3-[[4-(furan-2-carbonyl)piperazin-1-yl]methyl]phenoxy]piperidin-1-yl]-(4-methylphenyl)methanone?
[4-[3-[[4-(furan-2-carbonyl)piperazin-1-yl]methyl]phenoxy]piperidin-1-yl]-(4-methylphenyl)methanone has a molecular weight of 487.60 g/mol, XLogP of 4.23, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[3-[[4-(furan-2-carbonyl)piperazin-1-yl]methyl]phenoxy]piperidin-1-yl]-(4-methylphenyl)methanone is sourced from PubChem (CID 26340438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).