1-[4-[(furan-2-carbonylamino)methyl]phenyl]piperidine-3-carboxamide

C18H21N3O3 — CID 56797802

IUPAC1-[4-[(furan-2-carbonylamino)methyl]phenyl]piperidine-3-carboxamide
SMILESNC(=O)C1CCCN(c2ccc(CNC(=O)c3ccco3)cc2)C1
InChIInChI=1S/C18H21N3O3/c19-17(22)14-3-1-9-21(12-14)15-7-5-13(6-8-15)11-20-18(23)16-4-2-10-24-16/h2,4-8,10,14H,1,3,9,11-12H2,(H2,19,22)(H,20,23)
InChIKeyKUNRPEFMRCIJDX-UHFFFAOYSA-N
MW327.38 g/mol
LogP1.91
Rot. Bonds5

About 1-[4-[(furan-2-carbonylamino)methyl]phenyl]piperidine-3-carboxamide

1-[4-[(furan-2-carbonylamino)methyl]phenyl]piperidine-3-carboxamide (PubChem CID 56797802) has the molecular formula C18H21N3O3 and a molecular weight of 327.38 g/mol. Its IUPAC name is 1-[4-[(furan-2-carbonylamino)methyl]phenyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-[4-[(furan-2-carbonylamino)methyl]phenyl]piperidine-3-carboxamide
PubChem CID56797802
Molecular FormulaC18H21N3O3
Molecular Weight327.38 g/mol
Exact Mass327.16
IUPAC Name1-[4-[(furan-2-carbonylamino)methyl]phenyl]piperidine-3-carboxamide
SMILESNC(=O)C1CCCN(c2ccc(CNC(=O)c3ccco3)cc2)C1
InChIInChI=1S/C18H21N3O3/c19-17(22)14-3-1-9-21(12-14)15-7-5-13(6-8-15)11-20-18(23)16-4-2-10-24-16/h2,4-8,10,14H,1,3,9,11-12H2,(H2,19,22)(H,20,23)
InChIKeyKUNRPEFMRCIJDX-UHFFFAOYSA-N
XLogP1.91
TPSA88.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

(3R)-1-[4-[[(5-methylfuran-2-carbonyl)amino]methyl]phenyl]piperidine-3-carboxamide
CID 94632476
1-[4-[[(4-chlorobenzoyl)amino]methyl]phenyl]piperidine-3-carboxamide
CID 47064463
N-[[4-(3-carbamoylpiperidin-1-yl)phenyl]methyl]-1H-indazole-3-carboxamide
CID 170858740
(3R)-1-[4-[(pyrimidin-2-ylamino)methyl]phenyl]piperidine-3-carboxamide
CID 94173719
1-[4-(aminomethyl)phenyl]piperidine-3-carboxamide
CID 43188147
(3R)-1-[4-(methanesulfonamidomethyl)phenyl]piperidine-3-carboxamide
CID 94640128
1-[4-[(3,4-dimethoxyphenyl)methylcarbamoyl]phenyl]piperidine-3-carboxamide
CID 51124631
(3S)-1-[4-[[[4-(dimethylsulfamoyl)benzoyl]amino]methyl]phenyl]piperidine-3-carboxamide
CID 51966572
1-[4-[[(4-fluorophenyl)carbamoylamino]methyl]phenyl]piperidine-3-carboxamide
CID 47062453
1-[4-[(2-chlorophenyl)methylcarbamoyl]phenyl]piperidine-3-carboxamide
CID 47069872
(3S)-1-[4-[[(2-fluorophenyl)methylamino]methyl]phenyl]piperidine-3-carboxamide
CID 94531394
1-[4-[[(3-methoxyphenyl)methylamino]methyl]phenyl]piperidine-3-carboxamide
CID 51120625

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(furan-2-carbonylamino)methyl]phenyl]piperidine-3-carboxamide?
The IUPAC name of 1-[4-[(furan-2-carbonylamino)methyl]phenyl]piperidine-3-carboxamide (CID 56797802) is 1-[4-[(furan-2-carbonylamino)methyl]phenyl]piperidine-3-carboxamide.
What is the SMILES notation for 1-[4-[(furan-2-carbonylamino)methyl]phenyl]piperidine-3-carboxamide?
The canonical SMILES for 1-[4-[(furan-2-carbonylamino)methyl]phenyl]piperidine-3-carboxamide is NC(=O)C1CCCN(c2ccc(CNC(=O)c3ccco3)cc2)C1.
What is the InChIKey of 1-[4-[(furan-2-carbonylamino)methyl]phenyl]piperidine-3-carboxamide?
The InChIKey is KUNRPEFMRCIJDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O3/c19-17(22)14-3-1-9-21(12-14)15-7-5-13(6-8-15)11-20-18(23)16-4-2-10-24-16/h2,4-8,10,14H,1,3,9,11-12H2,(H2,19,22)(H,20,23).
What are the key properties of 1-[4-[(furan-2-carbonylamino)methyl]phenyl]piperidine-3-carboxamide?
1-[4-[(furan-2-carbonylamino)methyl]phenyl]piperidine-3-carboxamide has a molecular weight of 327.38 g/mol, XLogP of 1.91, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(furan-2-carbonylamino)methyl]phenyl]piperidine-3-carboxamide is sourced from PubChem (CID 56797802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).