1-(2,2-dimethylpropanoyl)-N-[(4-fluorophenyl)-pyridin-2-ylmethyl]-N-methylpiperidine-4-carboxamide

C24H30FN3O2 — CID 126473148

IUPAC1-(2,2-dimethylpropanoyl)-N-[(4-fluorophenyl)-pyridin-2-ylmethyl]-N-methylpiperidine-4-carboxamide
SMILESCN(C(=O)C1CCN(C(=O)C(C)(C)C)CC1)C(c1ccc(F)cc1)c1ccccn1
InChIInChI=1S/C24H30FN3O2/c1-24(2,3)23(30)28-15-12-18(13-16-28)22(29)27(4)21(20-7-5-6-14-26-20)17-8-10-19(25)11-9-17/h5-11,14,18,21H,12-13,15-16H2,1-4H3
InChIKeyLWZSMZLBKMTCPQ-UHFFFAOYSA-N
MW411.52 g/mol
LogP4.05
Rot. Bonds4

About 1-(2,2-dimethylpropanoyl)-N-[(4-fluorophenyl)-pyridin-2-ylmethyl]-N-methylpiperidine-4-carboxamide

1-(2,2-dimethylpropanoyl)-N-[(4-fluorophenyl)-pyridin-2-ylmethyl]-N-methylpiperidine-4-carboxamide (PubChem CID 126473148) has the molecular formula C24H30FN3O2 and a molecular weight of 411.52 g/mol. Its IUPAC name is 1-(2,2-dimethylpropanoyl)-N-[(4-fluorophenyl)-pyridin-2-ylmethyl]-N-methylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-(2,2-dimethylpropanoyl)-N-[(4-fluorophenyl)-pyridin-2-ylmethyl]-N-methylpiperidine-4-carboxamide
PubChem CID126473148
Molecular FormulaC24H30FN3O2
Molecular Weight411.52 g/mol
Exact Mass411.23
IUPAC Name1-(2,2-dimethylpropanoyl)-N-[(4-fluorophenyl)-pyridin-2-ylmethyl]-N-methylpiperidine-4-carboxamide
SMILESCN(C(=O)C1CCN(C(=O)C(C)(C)C)CC1)C(c1ccc(F)cc1)c1ccccn1
InChIInChI=1S/C24H30FN3O2/c1-24(2,3)23(30)28-15-12-18(13-16-28)22(29)27(4)21(20-7-5-6-14-26-20)17-8-10-19(25)11-9-17/h5-11,14,18,21H,12-13,15-16H2,1-4H3
InChIKeyLWZSMZLBKMTCPQ-UHFFFAOYSA-N
XLogP4.05
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.52
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-(2,2-dimethylpropanoyl)-N-[(4-fluorophenyl)-pyridin-2-ylmethyl]-N-methylpiperidine-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

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethylpropanoyl)-N-[(4-fluorophenyl)-pyridin-2-ylmethyl]-N-methylpiperidine-4-carboxamide?
The IUPAC name of 1-(2,2-dimethylpropanoyl)-N-[(4-fluorophenyl)-pyridin-2-ylmethyl]-N-methylpiperidine-4-carboxamide (CID 126473148) is 1-(2,2-dimethylpropanoyl)-N-[(4-fluorophenyl)-pyridin-2-ylmethyl]-N-methylpiperidine-4-carboxamide.
What is the SMILES notation for 1-(2,2-dimethylpropanoyl)-N-[(4-fluorophenyl)-pyridin-2-ylmethyl]-N-methylpiperidine-4-carboxamide?
The canonical SMILES for 1-(2,2-dimethylpropanoyl)-N-[(4-fluorophenyl)-pyridin-2-ylmethyl]-N-methylpiperidine-4-carboxamide is CN(C(=O)C1CCN(C(=O)C(C)(C)C)CC1)C(c1ccc(F)cc1)c1ccccn1.
What is the InChIKey of 1-(2,2-dimethylpropanoyl)-N-[(4-fluorophenyl)-pyridin-2-ylmethyl]-N-methylpiperidine-4-carboxamide?
The InChIKey is LWZSMZLBKMTCPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30FN3O2/c1-24(2,3)23(30)28-15-12-18(13-16-28)22(29)27(4)21(20-7-5-6-14-26-20)17-8-10-19(25)11-9-17/h5-11,14,18,21H,12-13,15-16H2,1-4H3.
What are the key properties of 1-(2,2-dimethylpropanoyl)-N-[(4-fluorophenyl)-pyridin-2-ylmethyl]-N-methylpiperidine-4-carboxamide?
1-(2,2-dimethylpropanoyl)-N-[(4-fluorophenyl)-pyridin-2-ylmethyl]-N-methylpiperidine-4-carboxamide has a molecular weight of 411.52 g/mol, XLogP of 4.05, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethylpropanoyl)-N-[(4-fluorophenyl)-pyridin-2-ylmethyl]-N-methylpiperidine-4-carboxamide is sourced from PubChem (CID 126473148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).