1-(furan-2-carbonyl)-N-[3-(propylcarbamoyl)phenyl]piperidine-4-carboxamide

C21H25N3O4 — CID 46485725

IUPAC1-(furan-2-carbonyl)-N-[3-(propylcarbamoyl)phenyl]piperidine-4-carboxamide
SMILESCCCNC(=O)c1cccc(NC(=O)C2CCN(C(=O)c3ccco3)CC2)c1
InChIInChI=1S/C21H25N3O4/c1-2-10-22-19(25)16-5-3-6-17(14-16)23-20(26)15-8-11-24(12-9-15)21(27)18-7-4-13-28-18/h3-7,13-15H,2,8-12H2,1H3,(H,22,25)(H,23,26)
InChIKeyYVRBMSZYCRFQSN-UHFFFAOYSA-N
MW383.45 g/mol
LogP2.91
Rot. Bonds6

About 1-(furan-2-carbonyl)-N-[3-(propylcarbamoyl)phenyl]piperidine-4-carboxamide

1-(furan-2-carbonyl)-N-[3-(propylcarbamoyl)phenyl]piperidine-4-carboxamide (PubChem CID 46485725) has the molecular formula C21H25N3O4 and a molecular weight of 383.45 g/mol. Its IUPAC name is 1-(furan-2-carbonyl)-N-[3-(propylcarbamoyl)phenyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(furan-2-carbonyl)-N-[3-(propylcarbamoyl)phenyl]piperidine-4-carboxamide
PubChem CID46485725
Molecular FormulaC21H25N3O4
Molecular Weight383.45 g/mol
Exact Mass383.18
IUPAC Name1-(furan-2-carbonyl)-N-[3-(propylcarbamoyl)phenyl]piperidine-4-carboxamide
SMILESCCCNC(=O)c1cccc(NC(=O)C2CCN(C(=O)c3ccco3)CC2)c1
InChIInChI=1S/C21H25N3O4/c1-2-10-22-19(25)16-5-3-6-17(14-16)23-20(26)15-8-11-24(12-9-15)21(27)18-7-4-13-28-18/h3-7,13-15H,2,8-12H2,1H3,(H,22,25)(H,23,26)
InChIKeyYVRBMSZYCRFQSN-UHFFFAOYSA-N
XLogP2.91
TPSA91.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.45
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(furan-2-carbonyl)-N-(3-methylsulfanylphenyl)piperidine-4-carboxamide
CID 17432225
methyl 2-[[4-[[1-(furan-2-carbonyl)piperidine-4-carbonyl]amino]benzoyl]amino]acetate
CID 46828250
N-(3-acetylphenyl)-1-(furan-2-carbonyl)piperidine-3-carboxamide
CID 42895769
1-(furan-2-carbonyl)-N-[3-(5-methyl-1,3,4-thiadiazol-2-yl)phenyl]piperidine-4-carboxamide
CID 25459482
N-[4-(butylsulfamoyl)phenyl]-1-(furan-2-carbonyl)piperidine-4-carboxamide
CID 17081720
N-(3-ethylphenyl)-1-(furan-2-carbonyl)piperidine-3-carboxamide
CID 46516477
1-(furan-2-carbonyl)-N-[(3-methylphenyl)methyl]piperidine-4-carboxamide
CID 33280813
N-[4-(2-amino-2-oxoethyl)phenyl]-1-(furan-2-carbonyl)piperidine-4-carboxamide
CID 39279841
N-[4-(dipropylsulfamoyl)phenyl]-1-(furan-2-carbonyl)piperidine-4-carboxamide
CID 17081719
N-[3-(4-hydroxypiperidine-1-carbonyl)phenyl]furan-2-carboxamide
CID 110897057
N-[4-(cyanomethyl)phenyl]-1-(furan-2-carbonyl)piperidine-4-carboxamide
CID 78813860
methyl 1-[3-(cyclopropanecarbonylamino)benzoyl]piperidine-4-carboxylate
CID 51153861

Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-carbonyl)-N-[3-(propylcarbamoyl)phenyl]piperidine-4-carboxamide?
The IUPAC name of 1-(furan-2-carbonyl)-N-[3-(propylcarbamoyl)phenyl]piperidine-4-carboxamide (CID 46485725) is 1-(furan-2-carbonyl)-N-[3-(propylcarbamoyl)phenyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-(furan-2-carbonyl)-N-[3-(propylcarbamoyl)phenyl]piperidine-4-carboxamide?
The canonical SMILES for 1-(furan-2-carbonyl)-N-[3-(propylcarbamoyl)phenyl]piperidine-4-carboxamide is CCCNC(=O)c1cccc(NC(=O)C2CCN(C(=O)c3ccco3)CC2)c1.
What is the InChIKey of 1-(furan-2-carbonyl)-N-[3-(propylcarbamoyl)phenyl]piperidine-4-carboxamide?
The InChIKey is YVRBMSZYCRFQSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O4/c1-2-10-22-19(25)16-5-3-6-17(14-16)23-20(26)15-8-11-24(12-9-15)21(27)18-7-4-13-28-18/h3-7,13-15H,2,8-12H2,1H3,(H,22,25)(H,23,26).
What are the key properties of 1-(furan-2-carbonyl)-N-[3-(propylcarbamoyl)phenyl]piperidine-4-carboxamide?
1-(furan-2-carbonyl)-N-[3-(propylcarbamoyl)phenyl]piperidine-4-carboxamide has a molecular weight of 383.45 g/mol, XLogP of 2.91, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-2-carbonyl)-N-[3-(propylcarbamoyl)phenyl]piperidine-4-carboxamide is sourced from PubChem (CID 46485725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).