1-[3-(4-fluorophenoxy)propyl]-N-methyl-N-[(2-methylphenyl)-(3-methyl-2-pyridinyl)methyl]piperidine-4-carboxamide

C30H36FN3O2 — CID 129316243

IUPAC1-[3-(4-fluorophenoxy)propyl]-N-methyl-N-[(2-methylphenyl)-(3-methyl-2-pyridinyl)methyl]piperidine-4-carboxamide
SMILESCc1ccccc1C(c1ncccc1C)N(C)C(=O)C1CCN(CCCOc2ccc(F)cc2)CC1
InChIInChI=1S/C30H36FN3O2/c1-22-8-4-5-10-27(22)29(28-23(2)9-6-17-32-28)33(3)30(35)24-15-19-34(20-16-24)18-7-21-36-26-13-11-25(31)12-14-26/h4-6,8-14,17,24,29H,7,15-16,18-21H2,1-3H3
InChIKeyJZLGFAYZEGIJLV-UHFFFAOYSA-N
MW489.64 g/mol
LogP5.57
Rot. Bonds9

About 1-[3-(4-fluorophenoxy)propyl]-N-methyl-N-[(2-methylphenyl)-(3-methyl-2-pyridinyl)methyl]piperidine-4-carboxamide

1-[3-(4-fluorophenoxy)propyl]-N-methyl-N-[(2-methylphenyl)-(3-methyl-2-pyridinyl)methyl]piperidine-4-carboxamide (PubChem CID 129316243) has the molecular formula C30H36FN3O2 and a molecular weight of 489.64 g/mol. Its IUPAC name is 1-[3-(4-fluorophenoxy)propyl]-N-methyl-N-[(2-methylphenyl)-(3-methyl-2-pyridinyl)methyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[3-(4-fluorophenoxy)propyl]-N-methyl-N-[(2-methylphenyl)-(3-methyl-2-pyridinyl)methyl]piperidine-4-carboxamide
PubChem CID129316243
Molecular FormulaC30H36FN3O2
Molecular Weight489.64 g/mol
Exact Mass489.28
IUPAC Name1-[3-(4-fluorophenoxy)propyl]-N-methyl-N-[(2-methylphenyl)-(3-methyl-2-pyridinyl)methyl]piperidine-4-carboxamide
SMILESCc1ccccc1C(c1ncccc1C)N(C)C(=O)C1CCN(CCCOc2ccc(F)cc2)CC1
InChIInChI=1S/C30H36FN3O2/c1-22-8-4-5-10-27(22)29(28-23(2)9-6-17-32-28)33(3)30(35)24-15-19-34(20-16-24)18-7-21-36-26-13-11-25(31)12-14-26/h4-6,8-14,17,24,29H,7,15-16,18-21H2,1-3H3
InChIKeyJZLGFAYZEGIJLV-UHFFFAOYSA-N
XLogP5.57
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500489.64
LogP ≤ 55.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-[3-(4-fluorophenoxy)propyl]-N-methyl-N-[(2-methylphenyl)-(3-methyl-2-pyridinyl)methyl]piperidine-4-carboxamide with MolForge

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Related Compounds

1-acetyl-N-[(4-fluorophenyl)-(3-methyl-2-pyridinyl)methyl]-N-methylpiperidine-4-carboxamide
CID 126473035
1-acetyl-N-methyl-N-[(3-methyl-2-pyridinyl)-phenylmethyl]piperidine-4-carboxamide
CID 126471945
1-(cyclopropanecarbonyl)-N-methyl-N-[(3-methyl-2-pyridinyl)-phenylmethyl]piperidine-4-carboxamide
CID 126474402
[1-[3-(4-fluorophenoxy)propyl]piperidin-4-yl]-(4-fluorophenyl)methanone
CID 14968317
N-cyclopropyl-N-[1-[3-(4-fluorophenoxy)propyl]piperidin-4-yl]propanamide
CID 12050260
methyl 1-[2-(4-fluorophenoxy)ethyl]piperidine-4-carboxylate
CID 60645154
[1-[3-(4-fluorophenoxy)propyl]piperidin-4-yl]methanamine
CID 22390813
1-[3-(4-fluorophenoxy)propyl]azepane;oxalic acid
CID 2944017
1-[2-(4-fluorophenoxy)ethyl]-N-methylpiperidine-4-carboxamide
CID 134055069
5-[1-[3-(4-fluorophenoxy)propyl]piperidin-4-yl]-3-methyl-1,2,4-oxadiazole
CID 51087893
1-[2-(4-fluorophenoxy)ethyl]-N-propylpiperidine-4-carboxamide
CID 134046330
1-[4-[3-[4-[bis(4-fluorophenyl)methyl]piperidin-1-yl]propoxy]phenyl]ethanone
CID 14407097

Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-fluorophenoxy)propyl]-N-methyl-N-[(2-methylphenyl)-(3-methyl-2-pyridinyl)methyl]piperidine-4-carboxamide?
The IUPAC name of 1-[3-(4-fluorophenoxy)propyl]-N-methyl-N-[(2-methylphenyl)-(3-methyl-2-pyridinyl)methyl]piperidine-4-carboxamide (CID 129316243) is 1-[3-(4-fluorophenoxy)propyl]-N-methyl-N-[(2-methylphenyl)-(3-methyl-2-pyridinyl)methyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[3-(4-fluorophenoxy)propyl]-N-methyl-N-[(2-methylphenyl)-(3-methyl-2-pyridinyl)methyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[3-(4-fluorophenoxy)propyl]-N-methyl-N-[(2-methylphenyl)-(3-methyl-2-pyridinyl)methyl]piperidine-4-carboxamide is Cc1ccccc1C(c1ncccc1C)N(C)C(=O)C1CCN(CCCOc2ccc(F)cc2)CC1.
What is the InChIKey of 1-[3-(4-fluorophenoxy)propyl]-N-methyl-N-[(2-methylphenyl)-(3-methyl-2-pyridinyl)methyl]piperidine-4-carboxamide?
The InChIKey is JZLGFAYZEGIJLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H36FN3O2/c1-22-8-4-5-10-27(22)29(28-23(2)9-6-17-32-28)33(3)30(35)24-15-19-34(20-16-24)18-7-21-36-26-13-11-25(31)12-14-26/h4-6,8-14,17,24,29H,7,15-16,18-21H2,1-3H3.
What are the key properties of 1-[3-(4-fluorophenoxy)propyl]-N-methyl-N-[(2-methylphenyl)-(3-methyl-2-pyridinyl)methyl]piperidine-4-carboxamide?
1-[3-(4-fluorophenoxy)propyl]-N-methyl-N-[(2-methylphenyl)-(3-methyl-2-pyridinyl)methyl]piperidine-4-carboxamide has a molecular weight of 489.64 g/mol, XLogP of 5.57, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-fluorophenoxy)propyl]-N-methyl-N-[(2-methylphenyl)-(3-methyl-2-pyridinyl)methyl]piperidine-4-carboxamide is sourced from PubChem (CID 129316243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).