1-(furan-2-carbonyl)-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]piperidine-3-carboxamide

C24H31N3O3 — CID 46515829

IUPAC1-(furan-2-carbonyl)-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]piperidine-3-carboxamide
SMILESO=C(NCc1ccccc1CN1CCCCC1)C1CCCN(C(=O)c2ccco2)C1
InChIInChI=1S/C24H31N3O3/c28-23(21-10-6-14-27(18-21)24(29)22-11-7-15-30-22)25-16-19-8-2-3-9-20(19)17-26-12-4-1-5-13-26/h2-3,7-9,11,15,21H,1,4-6,10,12-14,16-18H2,(H,25,28)
InChIKeyHZZNGELRXQCPMD-UHFFFAOYSA-N
MW409.53 g/mol
LogP3.43
Rot. Bonds6

About 1-(furan-2-carbonyl)-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]piperidine-3-carboxamide

1-(furan-2-carbonyl)-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]piperidine-3-carboxamide (PubChem CID 46515829) has the molecular formula C24H31N3O3 and a molecular weight of 409.53 g/mol. Its IUPAC name is 1-(furan-2-carbonyl)-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(furan-2-carbonyl)-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]piperidine-3-carboxamide
PubChem CID46515829
Molecular FormulaC24H31N3O3
Molecular Weight409.53 g/mol
Exact Mass409.24
IUPAC Name1-(furan-2-carbonyl)-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]piperidine-3-carboxamide
SMILESO=C(NCc1ccccc1CN1CCCCC1)C1CCCN(C(=O)c2ccco2)C1
InChIInChI=1S/C24H31N3O3/c28-23(21-10-6-14-27(18-21)24(29)22-11-7-15-30-22)25-16-19-8-2-3-9-20(19)17-26-12-4-1-5-13-26/h2-3,7-9,11,15,21H,1,4-6,10,12-14,16-18H2,(H,25,28)
InChIKeyHZZNGELRXQCPMD-UHFFFAOYSA-N
XLogP3.43
TPSA65.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.53
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(furan-2-carbonyl)-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]piperidine-3-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

A 317920
CID 10389213
CL82198
CID 2777
N-(1,2,2,6,6-pentamethylpiperidin-4-yl)furan-2-carboxamide
CID 723466
N-(2-Furylmethyl)-3-phenylacrylamide
CID 732131
4-(1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)-N-(furan-2-ylmethyl)butanamide
CID 2870264
2-furyl-[(3S,4S)-3-phenyl-4-[(4-phenyl-1-piperidyl)methyl]pyrrolidin-1-yl]methanone
CID 489821
N-benzylfuran-2-carboxamide
CID 347531
N-[1-(Furan-2-carbonyl)-4-(4-methoxy-phenyl)-piperidin-4-yl]-acetamide
CID 652969
Furan-2-carboxylic acid {1-[(benzyloxymethyl-cyano-methyl)-carbamoyl]-2-cyclohexyl-ethyl}-amide
CID 10938777
N-[2-[(1R,5S)-3-(3-carbamoylphenyl)-8-azabicyclo[3.2.1]octan-8-yl]ethyl]-N-(cyclohexylmethyl)furan-2-carboxamide
CID 155535351
N-[2-phenyl-1-(1-piperidinylcarbonyl)vinyl]-2-furamide
CID 738317
N-(4-ethoxybenzyl)furan-2-carboxamide
CID 861821

Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-carbonyl)-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]piperidine-3-carboxamide?
The IUPAC name of 1-(furan-2-carbonyl)-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]piperidine-3-carboxamide (CID 46515829) is 1-(furan-2-carbonyl)-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]piperidine-3-carboxamide.
What is the SMILES notation for 1-(furan-2-carbonyl)-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]piperidine-3-carboxamide?
The canonical SMILES for 1-(furan-2-carbonyl)-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]piperidine-3-carboxamide is O=C(NCc1ccccc1CN1CCCCC1)C1CCCN(C(=O)c2ccco2)C1.
What is the InChIKey of 1-(furan-2-carbonyl)-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]piperidine-3-carboxamide?
The InChIKey is HZZNGELRXQCPMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O3/c28-23(21-10-6-14-27(18-21)24(29)22-11-7-15-30-22)25-16-19-8-2-3-9-20(19)17-26-12-4-1-5-13-26/h2-3,7-9,11,15,21H,1,4-6,10,12-14,16-18H2,(H,25,28).
What are the key properties of 1-(furan-2-carbonyl)-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]piperidine-3-carboxamide?
1-(furan-2-carbonyl)-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]piperidine-3-carboxamide has a molecular weight of 409.53 g/mol, XLogP of 3.43, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-2-carbonyl)-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]piperidine-3-carboxamide is sourced from PubChem (CID 46515829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).