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

C23H29N3O3 — CID 35705960

IUPAC[1-(furan-3-carbonyl)piperidin-4-yl]-[4-[(3-methylphenyl)methyl]piperazin-1-yl]methanone
SMILESCc1cccc(CN2CCN(C(=O)C3CCN(C(=O)c4ccoc4)CC3)CC2)c1
InChIInChI=1S/C23H29N3O3/c1-18-3-2-4-19(15-18)16-24-10-12-26(13-11-24)22(27)20-5-8-25(9-6-20)23(28)21-7-14-29-17-21/h2-4,7,14-15,17,20H,5-6,8-13,16H2,1H3
InChIKeyCHDLDXNKWQATSI-UHFFFAOYSA-N
MW395.50 g/mol
LogP2.78
Rot. Bonds4

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

[1-(furan-3-carbonyl)piperidin-4-yl]-[4-[(3-methylphenyl)methyl]piperazin-1-yl]methanone (PubChem CID 35705960) has the molecular formula C23H29N3O3 and a molecular weight of 395.50 g/mol. Its IUPAC name is [1-(furan-3-carbonyl)piperidin-4-yl]-[4-[(3-methylphenyl)methyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name[1-(furan-3-carbonyl)piperidin-4-yl]-[4-[(3-methylphenyl)methyl]piperazin-1-yl]methanone
PubChem CID35705960
Molecular FormulaC23H29N3O3
Molecular Weight395.50 g/mol
Exact Mass395.22
IUPAC Name[1-(furan-3-carbonyl)piperidin-4-yl]-[4-[(3-methylphenyl)methyl]piperazin-1-yl]methanone
SMILESCc1cccc(CN2CCN(C(=O)C3CCN(C(=O)c4ccoc4)CC3)CC2)c1
InChIInChI=1S/C23H29N3O3/c1-18-3-2-4-19(15-18)16-24-10-12-26(13-11-24)22(27)20-5-8-25(9-6-20)23(28)21-7-14-29-17-21/h2-4,7,14-15,17,20H,5-6,8-13,16H2,1H3
InChIKeyCHDLDXNKWQATSI-UHFFFAOYSA-N
XLogP2.78
TPSA57.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.50
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

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Related Compounds

[1-[(3-methylphenyl)methyl]piperidin-4-yl]-morpholin-4-ylmethanone
CID 25249252
[1-(furan-3-carbonyl)piperidin-3-yl]-[4-[(4-methylphenyl)methyl]-1,4-diazepan-1-yl]methanone
CID 42958268
[4-[(3-methylphenyl)methyl]piperazin-1-yl]-pyridin-4-ylmethanone
CID 828834
(5-bromofuran-3-yl)-[4-[(3-methylphenyl)methyl]piperazin-1-yl]methanone
CID 39322873
[(1R)-cyclohex-3-en-1-yl]-[4-[(3-methylphenyl)methyl]piperazin-1-yl]methanone
CID 51970274
(4-fluorophenyl)-[4-[(3-methylphenyl)methyl]piperazin-1-yl]methanone
CID 828785
1-[4-(furan-3-carbonyl)piperazin-1-yl]-2-[(3-methylphenyl)methylsulfanyl]ethanone
CID 134021902
[4-[(3-methylphenyl)methyl]piperazin-1-yl]-[(2S,4S)-2-methylpiperidin-4-yl]methanone
CID 120631483
(3-methylphenyl) 1-(furan-3-carbonyl)piperidine-4-carboxylate
CID 35503747
[4-[(3-methylphenyl)methyl]piperazin-1-yl]-piperidin-3-ylmethanone
CID 119832310
[1-(furan-3-carbonyl)piperidin-4-yl]-(4-phenylpiperazin-1-yl)methanone
CID 35503421
[1-(furan-2-carbonyl)piperidin-2-yl]-[4-[(3-methylphenyl)methyl]piperazin-1-yl]methanone
CID 55975025

Frequently Asked Questions

What is the IUPAC name of [1-(furan-3-carbonyl)piperidin-4-yl]-[4-[(3-methylphenyl)methyl]piperazin-1-yl]methanone?
The IUPAC name of [1-(furan-3-carbonyl)piperidin-4-yl]-[4-[(3-methylphenyl)methyl]piperazin-1-yl]methanone (CID 35705960) is [1-(furan-3-carbonyl)piperidin-4-yl]-[4-[(3-methylphenyl)methyl]piperazin-1-yl]methanone.
What is the SMILES notation for [1-(furan-3-carbonyl)piperidin-4-yl]-[4-[(3-methylphenyl)methyl]piperazin-1-yl]methanone?
The canonical SMILES for [1-(furan-3-carbonyl)piperidin-4-yl]-[4-[(3-methylphenyl)methyl]piperazin-1-yl]methanone is Cc1cccc(CN2CCN(C(=O)C3CCN(C(=O)c4ccoc4)CC3)CC2)c1.
What is the InChIKey of [1-(furan-3-carbonyl)piperidin-4-yl]-[4-[(3-methylphenyl)methyl]piperazin-1-yl]methanone?
The InChIKey is CHDLDXNKWQATSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O3/c1-18-3-2-4-19(15-18)16-24-10-12-26(13-11-24)22(27)20-5-8-25(9-6-20)23(28)21-7-14-29-17-21/h2-4,7,14-15,17,20H,5-6,8-13,16H2,1H3.
What are the key properties of [1-(furan-3-carbonyl)piperidin-4-yl]-[4-[(3-methylphenyl)methyl]piperazin-1-yl]methanone?
[1-(furan-3-carbonyl)piperidin-4-yl]-[4-[(3-methylphenyl)methyl]piperazin-1-yl]methanone has a molecular weight of 395.50 g/mol, XLogP of 2.78, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(furan-3-carbonyl)piperidin-4-yl]-[4-[(3-methylphenyl)methyl]piperazin-1-yl]methanone is sourced from PubChem (CID 35705960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).