[1-(2-methylfuran-3-carbonyl)piperidin-3-yl]-[4-(2-methylphenyl)piperazin-1-yl]methanone

C23H29N3O3 — CID 4615764

IUPAC[1-(2-methylfuran-3-carbonyl)piperidin-3-yl]-[4-(2-methylphenyl)piperazin-1-yl]methanone
SMILESCc1ccccc1N1CCN(C(=O)C2CCCN(C(=O)c3ccoc3C)C2)CC1
InChIInChI=1S/C23H29N3O3/c1-17-6-3-4-8-21(17)24-11-13-25(14-12-24)22(27)19-7-5-10-26(16-19)23(28)20-9-15-29-18(20)2/h3-4,6,8-9,15,19H,5,7,10-14,16H2,1-2H3
InChIKeyZLAJUPMBQMTQHT-UHFFFAOYSA-N
MW395.50 g/mol
LogP3.10
Rot. Bonds3

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

[1-(2-methylfuran-3-carbonyl)piperidin-3-yl]-[4-(2-methylphenyl)piperazin-1-yl]methanone (PubChem CID 4615764) has the molecular formula C23H29N3O3 and a molecular weight of 395.50 g/mol. Its IUPAC name is [1-(2-methylfuran-3-carbonyl)piperidin-3-yl]-[4-(2-methylphenyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name[1-(2-methylfuran-3-carbonyl)piperidin-3-yl]-[4-(2-methylphenyl)piperazin-1-yl]methanone
PubChem CID4615764
Molecular FormulaC23H29N3O3
Molecular Weight395.50 g/mol
Exact Mass395.22
IUPAC Name[1-(2-methylfuran-3-carbonyl)piperidin-3-yl]-[4-(2-methylphenyl)piperazin-1-yl]methanone
SMILESCc1ccccc1N1CCN(C(=O)C2CCCN(C(=O)c3ccoc3C)C2)CC1
InChIInChI=1S/C23H29N3O3/c1-17-6-3-4-8-21(17)24-11-13-25(14-12-24)22(27)19-7-5-10-26(16-19)23(28)20-9-15-29-18(20)2/h3-4,6,8-9,15,19H,5,7,10-14,16H2,1-2H3
InChIKeyZLAJUPMBQMTQHT-UHFFFAOYSA-N
XLogP3.10
TPSA57.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.50
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

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Related Compounds

[4-(2-methoxyphenyl)piperazin-1-yl]-[(3R)-1-(2-methylfuran-3-carbonyl)piperidin-3-yl]methanone
CID 1030634
[1-(2-methylfuran-3-carbonyl)piperidin-3-yl]-(4-methylpiperidin-1-yl)methanone
CID 42780034
(4-benzylpiperidin-1-yl)-[1-(2-methylfuran-3-carbonyl)piperidin-3-yl]methanone
CID 3492446
1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[1-(2-methylfuran-3-carbonyl)piperidin-3-yl]methanone
CID 4684165
(4-ethylpiperazin-4-ium-1-yl)-[(3R)-1-(2-methylfuran-3-carbonyl)piperidin-3-yl]methanone
CID 7419606
[4-(2,3-dimethylphenyl)piperazin-1-yl]-(2-methylfuran-3-yl)methanone
CID 2932834
ethyl 1-(2-methylfuran-3-carbonyl)piperidine-3-carboxylate
CID 43406992
(2-chlorofuran-3-yl)-[4-(2-methylphenyl)piperazin-1-yl]methanone
CID 106685645
1-(2-methylfuran-3-carbonyl)-N,N-dipropylpiperidine-3-carboxamide
CID 42780033
1-[4-[4-(2-methylphenyl)piperazine-1-carbonyl]piperidin-1-yl]ethanone
CID 9152764
1-[3-[4-(2-hydroxyphenyl)piperazine-1-carbonyl]piperidin-1-yl]-2,2-dimethylpropan-1-one
CID 47988393
[1-(2-chlorobenzoyl)piperidin-3-yl]-(4-phenylpiperazin-1-yl)methanone
CID 3436001

Frequently Asked Questions

What is the IUPAC name of [1-(2-methylfuran-3-carbonyl)piperidin-3-yl]-[4-(2-methylphenyl)piperazin-1-yl]methanone?
The IUPAC name of [1-(2-methylfuran-3-carbonyl)piperidin-3-yl]-[4-(2-methylphenyl)piperazin-1-yl]methanone (CID 4615764) is [1-(2-methylfuran-3-carbonyl)piperidin-3-yl]-[4-(2-methylphenyl)piperazin-1-yl]methanone.
What is the SMILES notation for [1-(2-methylfuran-3-carbonyl)piperidin-3-yl]-[4-(2-methylphenyl)piperazin-1-yl]methanone?
The canonical SMILES for [1-(2-methylfuran-3-carbonyl)piperidin-3-yl]-[4-(2-methylphenyl)piperazin-1-yl]methanone is Cc1ccccc1N1CCN(C(=O)C2CCCN(C(=O)c3ccoc3C)C2)CC1.
What is the InChIKey of [1-(2-methylfuran-3-carbonyl)piperidin-3-yl]-[4-(2-methylphenyl)piperazin-1-yl]methanone?
The InChIKey is ZLAJUPMBQMTQHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O3/c1-17-6-3-4-8-21(17)24-11-13-25(14-12-24)22(27)19-7-5-10-26(16-19)23(28)20-9-15-29-18(20)2/h3-4,6,8-9,15,19H,5,7,10-14,16H2,1-2H3.
What are the key properties of [1-(2-methylfuran-3-carbonyl)piperidin-3-yl]-[4-(2-methylphenyl)piperazin-1-yl]methanone?
[1-(2-methylfuran-3-carbonyl)piperidin-3-yl]-[4-(2-methylphenyl)piperazin-1-yl]methanone has a molecular weight of 395.50 g/mol, XLogP of 3.10, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-methylfuran-3-carbonyl)piperidin-3-yl]-[4-(2-methylphenyl)piperazin-1-yl]methanone is sourced from PubChem (CID 4615764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).