N-(furan-2-ylmethyl)-N-[[4-(methylcarbamoyl)phenyl]methyl]-1-(2-phenylacetyl)piperidine-3-carboxamide

C28H31N3O4 — CID 46546153

IUPACN-(furan-2-ylmethyl)-N-[[4-(methylcarbamoyl)phenyl]methyl]-1-(2-phenylacetyl)piperidine-3-carboxamide
SMILESCNC(=O)c1ccc(CN(Cc2ccco2)C(=O)C2CCCN(C(=O)Cc3ccccc3)C2)cc1
InChIInChI=1S/C28H31N3O4/c1-29-27(33)23-13-11-22(12-14-23)18-31(20-25-10-6-16-35-25)28(34)24-9-5-15-30(19-24)26(32)17-21-7-3-2-4-8-21/h2-4,6-8,10-14,16,24H,5,9,15,17-20H2,1H3,(H,29,33)
InChIKeyXLSUSSGEMVNRQR-UHFFFAOYSA-N
MW473.57 g/mol
LogP3.65
Rot. Bonds8

About N-(furan-2-ylmethyl)-N-[[4-(methylcarbamoyl)phenyl]methyl]-1-(2-phenylacetyl)piperidine-3-carboxamide

N-(furan-2-ylmethyl)-N-[[4-(methylcarbamoyl)phenyl]methyl]-1-(2-phenylacetyl)piperidine-3-carboxamide (PubChem CID 46546153) has the molecular formula C28H31N3O4 and a molecular weight of 473.57 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-N-[[4-(methylcarbamoyl)phenyl]methyl]-1-(2-phenylacetyl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-N-[[4-(methylcarbamoyl)phenyl]methyl]-1-(2-phenylacetyl)piperidine-3-carboxamide
PubChem CID46546153
Molecular FormulaC28H31N3O4
Molecular Weight473.57 g/mol
Exact Mass473.23
IUPAC NameN-(furan-2-ylmethyl)-N-[[4-(methylcarbamoyl)phenyl]methyl]-1-(2-phenylacetyl)piperidine-3-carboxamide
SMILESCNC(=O)c1ccc(CN(Cc2ccco2)C(=O)C2CCCN(C(=O)Cc3ccccc3)C2)cc1
InChIInChI=1S/C28H31N3O4/c1-29-27(33)23-13-11-22(12-14-23)18-31(20-25-10-6-16-35-25)28(34)24-9-5-15-30(19-24)26(32)17-21-7-3-2-4-8-21/h2-4,6-8,10-14,16,24H,5,9,15,17-20H2,1H3,(H,29,33)
InChIKeyXLSUSSGEMVNRQR-UHFFFAOYSA-N
XLogP3.65
TPSA82.86 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.57
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-N-(furan-2-ylmethyl)cyclopentanecarboxamide
CID 52894765
N-[[4-(dimethylamino)phenyl]methyl]-N-ethyl-1-(2-phenylacetyl)piperidine-3-carboxamide
CID 55629106
1-benzoyl-N-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]piperidine-3-carboxamide
CID 136524417
4-[[[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-(furan-2-ylmethyl)amino]methyl]-N-methylbenzamide
CID 34941214
cis-(1S,3R)-N-benzyl-3-(dimethylamino)-N-(furan-2-ylmethyl)cyclohexane-1-carboxamide
CID 124738294
4-[[[2-(dibenzylamino)-2-oxoethyl]-(furan-2-ylmethyl)amino]methyl]-N-methylbenzamide
CID 30798139
4-[[furan-2-ylmethyl-[3-(furan-2-yl)propanoyl]amino]methyl]-N-methylbenzamide
CID 37433435
N-cycloheptyl-N-methyl-1-(2-phenylacetyl)piperidine-3-carboxamide
CID 55607775
N-(furan-2-ylmethyl)-2-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]benzamide
CID 34907709
(3R)-N-(2-anilino-2-oxoethyl)-1-(furan-3-carbonyl)-N-(furan-2-ylmethyl)piperidine-3-carboxamide
CID 51933799
N'-(4-chlorobenzoyl)-1-(2-phenylacetyl)piperidine-3-carbohydrazide
CID 46407573
1-[3-(4-methylbenzoyl)piperidin-1-yl]-2-phenylethanone
CID 110394612

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-N-[[4-(methylcarbamoyl)phenyl]methyl]-1-(2-phenylacetyl)piperidine-3-carboxamide?
The IUPAC name of N-(furan-2-ylmethyl)-N-[[4-(methylcarbamoyl)phenyl]methyl]-1-(2-phenylacetyl)piperidine-3-carboxamide (CID 46546153) is N-(furan-2-ylmethyl)-N-[[4-(methylcarbamoyl)phenyl]methyl]-1-(2-phenylacetyl)piperidine-3-carboxamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-N-[[4-(methylcarbamoyl)phenyl]methyl]-1-(2-phenylacetyl)piperidine-3-carboxamide?
The canonical SMILES for N-(furan-2-ylmethyl)-N-[[4-(methylcarbamoyl)phenyl]methyl]-1-(2-phenylacetyl)piperidine-3-carboxamide is CNC(=O)c1ccc(CN(Cc2ccco2)C(=O)C2CCCN(C(=O)Cc3ccccc3)C2)cc1.
What is the InChIKey of N-(furan-2-ylmethyl)-N-[[4-(methylcarbamoyl)phenyl]methyl]-1-(2-phenylacetyl)piperidine-3-carboxamide?
The InChIKey is XLSUSSGEMVNRQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H31N3O4/c1-29-27(33)23-13-11-22(12-14-23)18-31(20-25-10-6-16-35-25)28(34)24-9-5-15-30(19-24)26(32)17-21-7-3-2-4-8-21/h2-4,6-8,10-14,16,24H,5,9,15,17-20H2,1H3,(H,29,33).
What are the key properties of N-(furan-2-ylmethyl)-N-[[4-(methylcarbamoyl)phenyl]methyl]-1-(2-phenylacetyl)piperidine-3-carboxamide?
N-(furan-2-ylmethyl)-N-[[4-(methylcarbamoyl)phenyl]methyl]-1-(2-phenylacetyl)piperidine-3-carboxamide has a molecular weight of 473.57 g/mol, XLogP of 3.65, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-N-[[4-(methylcarbamoyl)phenyl]methyl]-1-(2-phenylacetyl)piperidine-3-carboxamide is sourced from PubChem (CID 46546153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).