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

C23H29N3O3 — CID 55975025

IUPAC[1-(furan-2-carbonyl)piperidin-2-yl]-[4-[(3-methylphenyl)methyl]piperazin-1-yl]methanone
SMILESCc1cccc(CN2CCN(C(=O)C3CCCCN3C(=O)c3ccco3)CC2)c1
InChIInChI=1S/C23H29N3O3/c1-18-6-4-7-19(16-18)17-24-11-13-25(14-12-24)22(27)20-8-2-3-10-26(20)23(28)21-9-5-15-29-21/h4-7,9,15-16,20H,2-3,8,10-14,17H2,1H3
InChIKeyCDIJOMGCFOXRJP-UHFFFAOYSA-N
MW395.50 g/mol
LogP2.93
Rot. Bonds4

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

[1-(furan-2-carbonyl)piperidin-2-yl]-[4-[(3-methylphenyl)methyl]piperazin-1-yl]methanone (PubChem CID 55975025) has the molecular formula C23H29N3O3 and a molecular weight of 395.50 g/mol. Its IUPAC name is [1-(furan-2-carbonyl)piperidin-2-yl]-[4-[(3-methylphenyl)methyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name[1-(furan-2-carbonyl)piperidin-2-yl]-[4-[(3-methylphenyl)methyl]piperazin-1-yl]methanone
PubChem CID55975025
Molecular FormulaC23H29N3O3
Molecular Weight395.50 g/mol
Exact Mass395.22
IUPAC Name[1-(furan-2-carbonyl)piperidin-2-yl]-[4-[(3-methylphenyl)methyl]piperazin-1-yl]methanone
SMILESCc1cccc(CN2CCN(C(=O)C3CCCCN3C(=O)c3ccco3)CC2)c1
InChIInChI=1S/C23H29N3O3/c1-18-6-4-7-19(16-18)17-24-11-13-25(14-12-24)22(27)20-8-2-3-10-26(20)23(28)21-9-5-15-29-21/h4-7,9,15-16,20H,2-3,8,10-14,17H2,1H3
InChIKeyCDIJOMGCFOXRJP-UHFFFAOYSA-N
XLogP2.93
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 ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(4-benzylpiperazin-1-yl)-[1-(furan-2-carbonyl)piperidin-2-yl]methanone
CID 55973734
[1-(furan-2-carbonyl)pyrrolidin-2-yl]-[4-(3-methylphenyl)piperazin-1-yl]methanone
CID 51263192
[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]-[1-(furan-2-carbonyl)pyrrolidin-2-yl]methanone
CID 55460818
tert-butyl 4-[1-(furan-2-carbonyl)piperidine-2-carbonyl]piperazine-1-carboxylate
CID 55975170
[1-(furan-2-carbonyl)pyrrolidin-2-yl]-[4-[[4-(trifluoromethoxy)phenyl]methyl]piperazin-1-yl]methanone
CID 55599794
1-[4-[(2S)-1-(furan-2-carbonyl)pyrrolidine-2-carbonyl]piperazin-1-yl]-2-(2-methylphenyl)ethanone
CID 86876183
1-[2-[4-[1-(furan-2-carbonyl)piperidine-2-carbonyl]piperazin-1-yl]-2-oxoethyl]pyrrolidine-2,5-dione
CID 55981303
[1-(furan-2-carbonyl)piperidin-2-yl]-[4-[3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]propyl]piperazin-1-yl]methanone
CID 55966836
[(1R)-cyclohex-3-en-1-yl]-[4-[(3-methylphenyl)methyl]piperazin-1-yl]methanone
CID 51970274
[4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]-[1-(furan-2-carbonyl)piperidin-2-yl]methanone
CID 55974120
[1-(furan-3-carbonyl)piperidin-4-yl]-[4-[(3-methylphenyl)methyl]piperazin-1-yl]methanone
CID 35705960
[3-(aminomethyl)pyrrolidin-1-yl]-[1-(furan-2-carbonyl)piperidin-2-yl]methanone;hydrochloride
CID 119484214

Frequently Asked Questions

What is the IUPAC name of [1-(furan-2-carbonyl)piperidin-2-yl]-[4-[(3-methylphenyl)methyl]piperazin-1-yl]methanone?
The IUPAC name of [1-(furan-2-carbonyl)piperidin-2-yl]-[4-[(3-methylphenyl)methyl]piperazin-1-yl]methanone (CID 55975025) is [1-(furan-2-carbonyl)piperidin-2-yl]-[4-[(3-methylphenyl)methyl]piperazin-1-yl]methanone.
What is the SMILES notation for [1-(furan-2-carbonyl)piperidin-2-yl]-[4-[(3-methylphenyl)methyl]piperazin-1-yl]methanone?
The canonical SMILES for [1-(furan-2-carbonyl)piperidin-2-yl]-[4-[(3-methylphenyl)methyl]piperazin-1-yl]methanone is Cc1cccc(CN2CCN(C(=O)C3CCCCN3C(=O)c3ccco3)CC2)c1.
What is the InChIKey of [1-(furan-2-carbonyl)piperidin-2-yl]-[4-[(3-methylphenyl)methyl]piperazin-1-yl]methanone?
The InChIKey is CDIJOMGCFOXRJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O3/c1-18-6-4-7-19(16-18)17-24-11-13-25(14-12-24)22(27)20-8-2-3-10-26(20)23(28)21-9-5-15-29-21/h4-7,9,15-16,20H,2-3,8,10-14,17H2,1H3.
What are the key properties of [1-(furan-2-carbonyl)piperidin-2-yl]-[4-[(3-methylphenyl)methyl]piperazin-1-yl]methanone?
[1-(furan-2-carbonyl)piperidin-2-yl]-[4-[(3-methylphenyl)methyl]piperazin-1-yl]methanone has a molecular weight of 395.50 g/mol, XLogP of 2.93, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(furan-2-carbonyl)piperidin-2-yl]-[4-[(3-methylphenyl)methyl]piperazin-1-yl]methanone is sourced from PubChem (CID 55975025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).