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

C21H27N3O3 — CID 39126265

IUPACN-[4-(diethylamino)phenyl]-1-(furan-3-carbonyl)piperidine-4-carboxamide
SMILESCCN(CC)c1ccc(NC(=O)C2CCN(C(=O)c3ccoc3)CC2)cc1
InChIInChI=1S/C21H27N3O3/c1-3-23(4-2)19-7-5-18(6-8-19)22-20(25)16-9-12-24(13-10-16)21(26)17-11-14-27-15-17/h5-8,11,14-16H,3-4,9-10,12-13H2,1-2H3,(H,22,25)
InChIKeyKNVPQRSKFMXXIJ-UHFFFAOYSA-N
MW369.47 g/mol
LogP3.62
Rot. Bonds6

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

N-[4-(diethylamino)phenyl]-1-(furan-3-carbonyl)piperidine-4-carboxamide (PubChem CID 39126265) has the molecular formula C21H27N3O3 and a molecular weight of 369.47 g/mol. Its IUPAC name is N-[4-(diethylamino)phenyl]-1-(furan-3-carbonyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[4-(diethylamino)phenyl]-1-(furan-3-carbonyl)piperidine-4-carboxamide
PubChem CID39126265
Molecular FormulaC21H27N3O3
Molecular Weight369.47 g/mol
Exact Mass369.21
IUPAC NameN-[4-(diethylamino)phenyl]-1-(furan-3-carbonyl)piperidine-4-carboxamide
SMILESCCN(CC)c1ccc(NC(=O)C2CCN(C(=O)c3ccoc3)CC2)cc1
InChIInChI=1S/C21H27N3O3/c1-3-23(4-2)19-7-5-18(6-8-19)22-20(25)16-9-12-24(13-10-16)21(26)17-11-14-27-15-17/h5-8,11,14-16H,3-4,9-10,12-13H2,1-2H3,(H,22,25)
InChIKeyKNVPQRSKFMXXIJ-UHFFFAOYSA-N
XLogP3.62
TPSA65.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Analyze N-[4-(diethylamino)phenyl]-1-(furan-3-carbonyl)piperidine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(furan-3-carbonyl)-N-(4-iodophenyl)piperidine-4-carboxamide
CID 55573185
1-(furan-3-carbonyl)-N-[4-(2-methylpropanoylamino)phenyl]piperidine-4-carboxamide
CID 35685138
N-[4-(diethylamino)phenyl]-1-(3-fluorobenzoyl)piperidine-4-carboxamide
CID 113008104
1-(furan-3-carbonyl)-N-(4-nitrophenyl)piperidine-4-carboxamide
CID 35706548
N-[4-(diethylamino)phenyl]-1-(oxolane-2-carbonyl)piperidine-4-carboxamide
CID 113008099
1-(furan-3-carbonyl)-N-[4-(furan-2-carbonylamino)phenyl]piperidine-4-carboxamide
CID 55567441
N-[4-(diethylamino)phenyl]-1-(naphthalene-1-carbonyl)piperidine-4-carboxamide
CID 46581827
N-[(2S)-butan-2-yl]-1-(furan-3-carbonyl)piperidine-4-carboxamide
CID 39992604
N-[(2R)-butan-2-yl]-1-(furan-3-carbonyl)piperidine-4-carboxamide
CID 39992601
N-[4-(diethylamino)phenyl]-1-(2,4-difluorobenzoyl)piperidine-4-carboxamide
CID 55375368
N-[2-[(4-ethylphenyl)carbamoyl]phenyl]-1-(furan-3-carbonyl)piperidine-4-carboxamide
CID 35751439
N-(3-chloro-4-methoxyphenyl)-1-(furan-3-carbonyl)piperidine-4-carboxamide
CID 35505478

Frequently Asked Questions

What is the IUPAC name of N-[4-(diethylamino)phenyl]-1-(furan-3-carbonyl)piperidine-4-carboxamide?
The IUPAC name of N-[4-(diethylamino)phenyl]-1-(furan-3-carbonyl)piperidine-4-carboxamide (CID 39126265) is N-[4-(diethylamino)phenyl]-1-(furan-3-carbonyl)piperidine-4-carboxamide.
What is the SMILES notation for N-[4-(diethylamino)phenyl]-1-(furan-3-carbonyl)piperidine-4-carboxamide?
The canonical SMILES for N-[4-(diethylamino)phenyl]-1-(furan-3-carbonyl)piperidine-4-carboxamide is CCN(CC)c1ccc(NC(=O)C2CCN(C(=O)c3ccoc3)CC2)cc1.
What is the InChIKey of N-[4-(diethylamino)phenyl]-1-(furan-3-carbonyl)piperidine-4-carboxamide?
The InChIKey is KNVPQRSKFMXXIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O3/c1-3-23(4-2)19-7-5-18(6-8-19)22-20(25)16-9-12-24(13-10-16)21(26)17-11-14-27-15-17/h5-8,11,14-16H,3-4,9-10,12-13H2,1-2H3,(H,22,25).
What are the key properties of N-[4-(diethylamino)phenyl]-1-(furan-3-carbonyl)piperidine-4-carboxamide?
N-[4-(diethylamino)phenyl]-1-(furan-3-carbonyl)piperidine-4-carboxamide has a molecular weight of 369.47 g/mol, XLogP of 3.62, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(diethylamino)phenyl]-1-(furan-3-carbonyl)piperidine-4-carboxamide is sourced from PubChem (CID 39126265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).