N-[[4-(ethylcarbamoyl)phenyl]methyl]-1-(furan-2-carbonyl)piperidine-2-carboxamide

C21H25N3O4 — CID 136578492

IUPACN-[[4-(ethylcarbamoyl)phenyl]methyl]-1-(furan-2-carbonyl)piperidine-2-carboxamide
SMILESCCNC(=O)c1ccc(CNC(=O)C2CCCCN2C(=O)c2ccco2)cc1
InChIInChI=1S/C21H25N3O4/c1-2-22-19(25)16-10-8-15(9-11-16)14-23-20(26)17-6-3-4-12-24(17)21(27)18-7-5-13-28-18/h5,7-11,13,17H,2-4,6,12,14H2,1H3,(H,22,25)(H,23,26)
InChIKeyICTFNKSPCXDVPO-UHFFFAOYSA-N
MW383.45 g/mol
LogP2.34
Rot. Bonds6

About N-[[4-(ethylcarbamoyl)phenyl]methyl]-1-(furan-2-carbonyl)piperidine-2-carboxamide

N-[[4-(ethylcarbamoyl)phenyl]methyl]-1-(furan-2-carbonyl)piperidine-2-carboxamide (PubChem CID 136578492) has the molecular formula C21H25N3O4 and a molecular weight of 383.45 g/mol. Its IUPAC name is N-[[4-(ethylcarbamoyl)phenyl]methyl]-1-(furan-2-carbonyl)piperidine-2-carboxamide.

Molecular Properties

Compound NameN-[[4-(ethylcarbamoyl)phenyl]methyl]-1-(furan-2-carbonyl)piperidine-2-carboxamide
PubChem CID136578492
Molecular FormulaC21H25N3O4
Molecular Weight383.45 g/mol
Exact Mass383.18
IUPAC NameN-[[4-(ethylcarbamoyl)phenyl]methyl]-1-(furan-2-carbonyl)piperidine-2-carboxamide
SMILESCCNC(=O)c1ccc(CNC(=O)C2CCCCN2C(=O)c2ccco2)cc1
InChIInChI=1S/C21H25N3O4/c1-2-22-19(25)16-10-8-15(9-11-16)14-23-20(26)17-6-3-4-12-24(17)21(27)18-7-5-13-28-18/h5,7-11,13,17H,2-4,6,12,14H2,1H3,(H,22,25)(H,23,26)
InChIKeyICTFNKSPCXDVPO-UHFFFAOYSA-N
XLogP2.34
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 ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-N-(2-benzamidoethyl)-1-(furan-2-carbonyl)pyrrolidine-2-carboxamide
CID 42879455
N-[[4-(4-fluorophenoxy)phenyl]methyl]-1-(furan-2-carbonyl)pyrrolidine-2-carboxamide
CID 46537587
1-(furan-2-carbonyl)-N-[[4-(3-methylphenyl)phenyl]methyl]pyrrolidine-2-carboxamide
CID 86974225
(2S)-1-(furan-2-carbonyl)-N-[(2-propan-2-yloxyphenyl)methyl]piperidine-2-carboxamide
CID 52524693
N-[(2,4-dichlorophenyl)methyl]-1-(furan-2-carbonyl)piperidine-2-carboxamide
CID 55973603
4-[[1-(furan-2-carbonyl)piperidine-2-carbonyl]amino]butanoic acid
CID 119170892
(2S)-1-(furan-2-carbonyl)-N-(3-phenylprop-2-ynyl)piperidine-2-carboxamide
CID 94816747
1-(furan-2-carbonyl)-N-(3-phenylprop-2-ynyl)piperidine-2-carboxamide
CID 51089877
(2R)-N-benzyl-1-(furan-3-carbonyl)piperidine-2-carboxamide
CID 815025
N-benzyl-1-(furan-3-carbonyl)piperidine-2-carboxamide
CID 5019016
N-[(3-ethyl-5-methoxy-1-methylpyrazol-4-yl)methyl]-1-(furan-2-carbonyl)piperidine-2-carboxamide
CID 136520094
1-(furan-2-carbonyl)-N-[2-[(4-methylphenyl)methylsulfanyl]ethyl]piperidine-2-carboxamide
CID 55974900

Frequently Asked Questions

What is the IUPAC name of N-[[4-(ethylcarbamoyl)phenyl]methyl]-1-(furan-2-carbonyl)piperidine-2-carboxamide?
The IUPAC name of N-[[4-(ethylcarbamoyl)phenyl]methyl]-1-(furan-2-carbonyl)piperidine-2-carboxamide (CID 136578492) is N-[[4-(ethylcarbamoyl)phenyl]methyl]-1-(furan-2-carbonyl)piperidine-2-carboxamide.
What is the SMILES notation for N-[[4-(ethylcarbamoyl)phenyl]methyl]-1-(furan-2-carbonyl)piperidine-2-carboxamide?
The canonical SMILES for N-[[4-(ethylcarbamoyl)phenyl]methyl]-1-(furan-2-carbonyl)piperidine-2-carboxamide is CCNC(=O)c1ccc(CNC(=O)C2CCCCN2C(=O)c2ccco2)cc1.
What is the InChIKey of N-[[4-(ethylcarbamoyl)phenyl]methyl]-1-(furan-2-carbonyl)piperidine-2-carboxamide?
The InChIKey is ICTFNKSPCXDVPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O4/c1-2-22-19(25)16-10-8-15(9-11-16)14-23-20(26)17-6-3-4-12-24(17)21(27)18-7-5-13-28-18/h5,7-11,13,17H,2-4,6,12,14H2,1H3,(H,22,25)(H,23,26).
What are the key properties of N-[[4-(ethylcarbamoyl)phenyl]methyl]-1-(furan-2-carbonyl)piperidine-2-carboxamide?
N-[[4-(ethylcarbamoyl)phenyl]methyl]-1-(furan-2-carbonyl)piperidine-2-carboxamide has a molecular weight of 383.45 g/mol, XLogP of 2.34, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(ethylcarbamoyl)phenyl]methyl]-1-(furan-2-carbonyl)piperidine-2-carboxamide is sourced from PubChem (CID 136578492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).