N-[3-(4-fluorophenyl)propyl]-1-(2-methoxybenzyl)-6-oxo-3-piperidinecarboxamide

C23H27FN2O3 — CID 24792126

IUPACN-[3-(4-fluorophenyl)propyl]-1-[(2-methoxyphenyl)methyl]-6-oxopiperidine-3-carboxamide
SMILESCOC1=CC=CC=C1CN2CC(CCC2=O)C(=O)NCCCC3=CC=C(C=C3)F
InChIInChI=1S/C23H27FN2O3/c1-29-21-7-3-2-6-18(21)15-26-16-19(10-13-22(26)27)23(28)25-14-4-5-17-8-11-20(24)12-9-17/h2-3,6-9,11-12,19H,4-5,10,13-16H2,1H3,(H,25,28)
InChIKeyVGQZZHKPDABZDB-UHFFFAOYSA-N
MW398.50 g/mol
LogP3.00
Rot. Bonds8

About N-[3-(4-fluorophenyl)propyl]-1-(2-methoxybenzyl)-6-oxo-3-piperidinecarboxamide

N-[3-(4-fluorophenyl)propyl]-1-(2-methoxybenzyl)-6-oxo-3-piperidinecarboxamide (PubChem CID 24792126) has the molecular formula C23H27FN2O3 and a molecular weight of 398.50 g/mol. Its IUPAC name is N-[3-(4-fluorophenyl)propyl]-1-[(2-methoxyphenyl)methyl]-6-oxopiperidine-3-carboxamide.

Molecular Properties

Compound NameN-[3-(4-fluorophenyl)propyl]-1-(2-methoxybenzyl)-6-oxo-3-piperidinecarboxamide
PubChem CID24792126
Molecular FormulaC23H27FN2O3
Molecular Weight398.50 g/mol
Exact Mass398.20
IUPAC NameN-[3-(4-fluorophenyl)propyl]-1-[(2-methoxyphenyl)methyl]-6-oxopiperidine-3-carboxamide
SMILESCOC1=CC=CC=C1CN2CC(CCC2=O)C(=O)NCCCC3=CC=C(C=C3)F
InChIInChI=1S/C23H27FN2O3/c1-29-21-7-3-2-6-18(21)15-26-16-19(10-13-22(26)27)23(28)25-14-4-5-17-8-11-20(24)12-9-17/h2-3,6-9,11-12,19H,4-5,10,13-16H2,1H3,(H,25,28)
InChIKeyVGQZZHKPDABZDB-UHFFFAOYSA-N
XLogP3.00
TPSA58.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity536

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.50
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

Caproctamine
CID 10055202
trans-(1R,2R)-N-[cyano-(2-methoxyphenyl)methyl]-2-[4-[(4-fluorophenyl)methyl]piperazine-1-carbonyl]cyclohexane-1-carboxamide
CID 10051341
(2S,3S)-N-[(5-fluoro-2-methoxyphenyl)methyl]-2-phenylpiperidin-3-amine
CID 10495476
N,N-Diethyl-4-[(2-methoxy-phenyl)-piperidin-4-ylidene-methyl]-benzamide
CID 10809678
2-(S)-Amino-4-(2-benzyloxy-benzylamino)-1-piperidin-1-yl-butan-1-one
CID 11383468
1-[(3R,4S)-4-[[2-methoxy-5-(trifluoromethoxy)phenyl]methylamino]-3-phenylpiperidin-1-yl]ethanone;hydrochloride
CID 57400914
N-[(2-methoxyphenyl)methyl]-2-phenylacetamide
CID 795920
Cambridge id 7035693
CID 1075488
3-(4-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]propanamide
CID 2399645
N-(1-benzylpiperidin-4-yl)-2-(2-methoxyphenyl)acetamide
CID 2729533
N-[(2-methoxyphenyl)methyl]-2-phenylbutanamide
CID 2891278
N-(2-methoxybenzyl)-3-phenylbutanamide
CID 2914849

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-fluorophenyl)propyl]-1-(2-methoxybenzyl)-6-oxo-3-piperidinecarboxamide?
The IUPAC name of N-[3-(4-fluorophenyl)propyl]-1-(2-methoxybenzyl)-6-oxo-3-piperidinecarboxamide (CID 24792126) is N-[3-(4-fluorophenyl)propyl]-1-[(2-methoxyphenyl)methyl]-6-oxopiperidine-3-carboxamide.
What is the SMILES notation for N-[3-(4-fluorophenyl)propyl]-1-(2-methoxybenzyl)-6-oxo-3-piperidinecarboxamide?
The canonical SMILES for N-[3-(4-fluorophenyl)propyl]-1-(2-methoxybenzyl)-6-oxo-3-piperidinecarboxamide is COC1=CC=CC=C1CN2CC(CCC2=O)C(=O)NCCCC3=CC=C(C=C3)F.
What is the InChIKey of N-[3-(4-fluorophenyl)propyl]-1-(2-methoxybenzyl)-6-oxo-3-piperidinecarboxamide?
The InChIKey is VGQZZHKPDABZDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27FN2O3/c1-29-21-7-3-2-6-18(21)15-26-16-19(10-13-22(26)27)23(28)25-14-4-5-17-8-11-20(24)12-9-17/h2-3,6-9,11-12,19H,4-5,10,13-16H2,1H3,(H,25,28).
What are the key properties of N-[3-(4-fluorophenyl)propyl]-1-(2-methoxybenzyl)-6-oxo-3-piperidinecarboxamide?
N-[3-(4-fluorophenyl)propyl]-1-(2-methoxybenzyl)-6-oxo-3-piperidinecarboxamide has a molecular weight of 398.50 g/mol, XLogP of 3.00, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-fluorophenyl)propyl]-1-(2-methoxybenzyl)-6-oxo-3-piperidinecarboxamide is sourced from PubChem (CID 24792126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).