N-[4-(furan-2-yl)phenyl]-4-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-1-carboxamide

C20H22N4O3 — CID 74234418

IUPACN-[4-(furan-2-yl)phenyl]-4-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-1-carboxamide
SMILESCc1noc(CC2CCN(C(=O)Nc3ccc(-c4ccco4)cc3)CC2)n1
InChIInChI=1S/C20H22N4O3/c1-14-21-19(27-23-14)13-15-8-10-24(11-9-15)20(25)22-17-6-4-16(5-7-17)18-3-2-12-26-18/h2-7,12,15H,8-11,13H2,1H3,(H,22,25)
InChIKeyBWFKUARHFAEDEX-UHFFFAOYSA-N
MW366.42 g/mol
LogP4.12
Rot. Bonds4

About N-[4-(furan-2-yl)phenyl]-4-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-1-carboxamide

N-[4-(furan-2-yl)phenyl]-4-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-1-carboxamide (PubChem CID 74234418) has the molecular formula C20H22N4O3 and a molecular weight of 366.42 g/mol. Its IUPAC name is N-[4-(furan-2-yl)phenyl]-4-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-1-carboxamide.

Molecular Properties

Compound NameN-[4-(furan-2-yl)phenyl]-4-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-1-carboxamide
PubChem CID74234418
Molecular FormulaC20H22N4O3
Molecular Weight366.42 g/mol
Exact Mass366.17
IUPAC NameN-[4-(furan-2-yl)phenyl]-4-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-1-carboxamide
SMILESCc1noc(CC2CCN(C(=O)Nc3ccc(-c4ccco4)cc3)CC2)n1
InChIInChI=1S/C20H22N4O3/c1-14-21-19(27-23-14)13-15-8-10-24(11-9-15)20(25)22-17-6-4-16(5-7-17)18-3-2-12-26-18/h2-7,12,15H,8-11,13H2,1H3,(H,22,25)
InChIKeyBWFKUARHFAEDEX-UHFFFAOYSA-N
XLogP4.12
TPSA84.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.42
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-ethylphenyl)-4-[4-(furan-2-yl)phenyl]sulfonylpiperidine-1-carboxamide
CID 24730910
1-N-(4-chlorophenyl)-4-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-1,4-dicarboxamide
CID 90602133
3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-N-(2-methylpyrimidin-4-yl)piperidine-1-carboxamide
CID 138028277
3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-N-(4-methylphenyl)azetidine-1-carboxamide
CID 90509184
4-benzyl-N-(4-phenylphenyl)piperidine-1-carboxamide
CID 108867010
N-[2,3-bis(furan-2-yl)quinoxalin-6-yl]-4-methylpiperidine-1-carboxamide
CID 2924978
(2R)-2-(dimethylamino)-1-[4-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]-2-(2-methylphenyl)ethanone
CID 97285815
1-N-(3,4-dimethoxyphenyl)-4-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-1,4-dicarboxamide
CID 90602270
4-(furan-2-ylmethylsulfonyl)-N-(4-methylphenyl)piperidine-1-carboxamide
CID 90590668
N-(4-methylphenyl)-4-(quinolin-3-ylmethyl)piperidine-1-carboxamide
CID 158349781
N-[[1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]methyl]furan-2-carboxamide
CID 131898832
4-(hydroxymethyl)-N-(4-phenylphenyl)piperidine-1-carboxamide
CID 111486727

Frequently Asked Questions

What is the IUPAC name of N-[4-(furan-2-yl)phenyl]-4-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-1-carboxamide?
The IUPAC name of N-[4-(furan-2-yl)phenyl]-4-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-1-carboxamide (CID 74234418) is N-[4-(furan-2-yl)phenyl]-4-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-1-carboxamide.
What is the SMILES notation for N-[4-(furan-2-yl)phenyl]-4-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-1-carboxamide?
The canonical SMILES for N-[4-(furan-2-yl)phenyl]-4-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-1-carboxamide is Cc1noc(CC2CCN(C(=O)Nc3ccc(-c4ccco4)cc3)CC2)n1.
What is the InChIKey of N-[4-(furan-2-yl)phenyl]-4-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-1-carboxamide?
The InChIKey is BWFKUARHFAEDEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O3/c1-14-21-19(27-23-14)13-15-8-10-24(11-9-15)20(25)22-17-6-4-16(5-7-17)18-3-2-12-26-18/h2-7,12,15H,8-11,13H2,1H3,(H,22,25).
What are the key properties of N-[4-(furan-2-yl)phenyl]-4-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-1-carboxamide?
N-[4-(furan-2-yl)phenyl]-4-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-1-carboxamide has a molecular weight of 366.42 g/mol, XLogP of 4.12, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(furan-2-yl)phenyl]-4-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-1-carboxamide is sourced from PubChem (CID 74234418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).