N-(furan-2-ylmethyl)-2-[4-(4-methylbenzoyl)piperidin-1-yl]-N-phenylacetamide

C26H28N2O3 — CID 78904271

IUPACN-(furan-2-ylmethyl)-2-[4-(4-methylbenzoyl)piperidin-1-yl]-N-phenylacetamide
SMILESCc1ccc(C(=O)C2CCN(CC(=O)N(Cc3ccco3)c3ccccc3)CC2)cc1
InChIInChI=1S/C26H28N2O3/c1-20-9-11-21(12-10-20)26(30)22-13-15-27(16-14-22)19-25(29)28(18-24-8-5-17-31-24)23-6-3-2-4-7-23/h2-12,17,22H,13-16,18-19H2,1H3
InChIKeyZCGBVPNRASFXSF-UHFFFAOYSA-N
MW416.52 g/mol
LogP4.72
Rot. Bonds7

About N-(furan-2-ylmethyl)-2-[4-(4-methylbenzoyl)piperidin-1-yl]-N-phenylacetamide

N-(furan-2-ylmethyl)-2-[4-(4-methylbenzoyl)piperidin-1-yl]-N-phenylacetamide (PubChem CID 78904271) has the molecular formula C26H28N2O3 and a molecular weight of 416.52 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-2-[4-(4-methylbenzoyl)piperidin-1-yl]-N-phenylacetamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-2-[4-(4-methylbenzoyl)piperidin-1-yl]-N-phenylacetamide
PubChem CID78904271
Molecular FormulaC26H28N2O3
Molecular Weight416.52 g/mol
Exact Mass416.21
IUPAC NameN-(furan-2-ylmethyl)-2-[4-(4-methylbenzoyl)piperidin-1-yl]-N-phenylacetamide
SMILESCc1ccc(C(=O)C2CCN(CC(=O)N(Cc3ccco3)c3ccccc3)CC2)cc1
InChIInChI=1S/C26H28N2O3/c1-20-9-11-21(12-10-20)26(30)22-13-15-27(16-14-22)19-25(29)28(18-24-8-5-17-31-24)23-6-3-2-4-7-23/h2-12,17,22H,13-16,18-19H2,1H3
InChIKeyZCGBVPNRASFXSF-UHFFFAOYSA-N
XLogP4.72
TPSA53.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.52
LogP ≤ 54.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(furan-2-ylmethyl)-2-[4-(1-hydroxyethyl)piperidin-1-yl]-N-phenylacetamide
CID 111113787
N-(furan-2-ylmethyl)-2-[4-(4-methylbenzoyl)piperidin-1-yl]acetamide
CID 1437976
N-(furan-2-ylmethyl)-N-(4-methylphenyl)-2-(2-oxoazocan-1-yl)acetamide
CID 55756275
1-[2-[N-(furan-2-ylmethyl)anilino]-2-oxoethyl]-N-phenylpiperidine-3-carboxamide
CID 78829146
N-(furan-2-ylmethyl)-N-(4-methylphenyl)-2-(5-phenyltetrazol-2-yl)acetamide
CID 134011749
2-[4-(2-fluorobenzoyl)piperazin-1-yl]-N-(furan-2-ylmethyl)-N-phenylacetamide
CID 86922308
1-(benzenesulfonyl)-N-(furan-2-ylmethyl)-N-(4-methylphenyl)piperidine-3-carboxamide
CID 55668767
2-[cyclopropyl(ethyl)amino]-N-(furan-2-ylmethyl)-N-phenylacetamide
CID 78877019
N-(furan-2-ylmethyl)-N-(4-methylphenyl)butanamide
CID 60528113
2-(benzotriazol-1-yl)-N-(furan-2-ylmethyl)-N-(4-methylphenyl)acetamide
CID 51189023
N-(furan-2-ylmethyl)-2-[methyl-(4-methylphenyl)sulfonylamino]-N-phenylacetamide
CID 18100578
1-[2-(N-benzylanilino)-2-oxoethyl]piperidine-4-carboxamide
CID 24565100

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-2-[4-(4-methylbenzoyl)piperidin-1-yl]-N-phenylacetamide?
The IUPAC name of N-(furan-2-ylmethyl)-2-[4-(4-methylbenzoyl)piperidin-1-yl]-N-phenylacetamide (CID 78904271) is N-(furan-2-ylmethyl)-2-[4-(4-methylbenzoyl)piperidin-1-yl]-N-phenylacetamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-2-[4-(4-methylbenzoyl)piperidin-1-yl]-N-phenylacetamide?
The canonical SMILES for N-(furan-2-ylmethyl)-2-[4-(4-methylbenzoyl)piperidin-1-yl]-N-phenylacetamide is Cc1ccc(C(=O)C2CCN(CC(=O)N(Cc3ccco3)c3ccccc3)CC2)cc1.
What is the InChIKey of N-(furan-2-ylmethyl)-2-[4-(4-methylbenzoyl)piperidin-1-yl]-N-phenylacetamide?
The InChIKey is ZCGBVPNRASFXSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N2O3/c1-20-9-11-21(12-10-20)26(30)22-13-15-27(16-14-22)19-25(29)28(18-24-8-5-17-31-24)23-6-3-2-4-7-23/h2-12,17,22H,13-16,18-19H2,1H3.
What are the key properties of N-(furan-2-ylmethyl)-2-[4-(4-methylbenzoyl)piperidin-1-yl]-N-phenylacetamide?
N-(furan-2-ylmethyl)-2-[4-(4-methylbenzoyl)piperidin-1-yl]-N-phenylacetamide has a molecular weight of 416.52 g/mol, XLogP of 4.72, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-2-[4-(4-methylbenzoyl)piperidin-1-yl]-N-phenylacetamide is sourced from PubChem (CID 78904271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).