N-tert-butyl-1-[(2-chloro-6-fluorophenyl)methyl]piperidine-3-carboxamide

C17H24ClFN2O — CID 43918468

IUPACN-tert-butyl-1-[(2-chloro-6-fluorophenyl)methyl]piperidine-3-carboxamide
SMILESCC(C)(C)NC(=O)C1CCCN(Cc2c(F)cccc2Cl)C1
InChIInChI=1S/C17H24ClFN2O/c1-17(2,3)20-16(22)12-6-5-9-21(10-12)11-13-14(18)7-4-8-15(13)19/h4,7-8,12H,5-6,9-11H2,1-3H3,(H,20,22)
InChIKeyQPMAVECHLYHNTI-UHFFFAOYSA-N
MW326.84 g/mol
LogP3.61
Rot. Bonds3

About N-tert-butyl-1-[(2-chloro-6-fluorophenyl)methyl]piperidine-3-carboxamide

N-tert-butyl-1-[(2-chloro-6-fluorophenyl)methyl]piperidine-3-carboxamide (PubChem CID 43918468) has the molecular formula C17H24ClFN2O and a molecular weight of 326.84 g/mol. Its IUPAC name is N-tert-butyl-1-[(2-chloro-6-fluorophenyl)methyl]piperidine-3-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-1-[(2-chloro-6-fluorophenyl)methyl]piperidine-3-carboxamide
PubChem CID43918468
Molecular FormulaC17H24ClFN2O
Molecular Weight326.84 g/mol
Exact Mass326.16
IUPAC NameN-tert-butyl-1-[(2-chloro-6-fluorophenyl)methyl]piperidine-3-carboxamide
SMILESCC(C)(C)NC(=O)C1CCCN(Cc2c(F)cccc2Cl)C1
InChIInChI=1S/C17H24ClFN2O/c1-17(2,3)20-16(22)12-6-5-9-21(10-12)11-13-14(18)7-4-8-15(13)19/h4,7-8,12H,5-6,9-11H2,1-3H3,(H,20,22)
InChIKeyQPMAVECHLYHNTI-UHFFFAOYSA-N
XLogP3.61
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.84
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-tert-butyl-1-[(2-chloro-6-fluorophenyl)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

(3R)-N-tert-butyl-1-[(2,6-dichlorophenyl)methyl]piperidine-3-carboxamide
CID 93490092
N-tert-butyl-1-[(2-chloro-6-fluorophenyl)methyl]piperidine-4-carboxamide
CID 25249339
N-tert-butyl-1-[(2-fluorophenyl)methyl]piperidine-3-carboxamide
CID 43918466
1-[(2-chloro-6-fluorophenyl)methyl]-N-(2,4-dimethylpentan-3-yl)piperidine-3-carboxamide
CID 43921338
N-tert-butyl-1-[(4-chlorophenyl)methyl]piperidine-3-carboxamide
CID 43918460
1-[(2-chloro-6-fluorophenyl)methyl]-N-(3,5-dimethylphenyl)piperidine-3-carboxamide
CID 43919230
1-[(2-chloro-6-fluorophenyl)methyl]-N-methylpyrrolidine-3-carboxamide
CID 74237935
1-[(2-chloro-6-fluorophenyl)methyl]-N-[2-(trifluoromethyl)phenyl]piperidine-3-carboxamide
CID 43921762
N-(2-bromophenyl)-1-[(2-chloro-6-fluorophenyl)methyl]piperidine-3-carboxamide
CID 43920134
(3R)-1-[(2-chloro-6-fluorophenyl)methyl]-N,N-diethylpiperidine-3-carboxamide
CID 756890
1-[(2,6-dichlorophenyl)methyl]-N-methylpiperidine-3-carboxamide
CID 43918333
1-[(2-chloro-6-fluorophenyl)methyl]-N-(2-propan-2-ylphenyl)piperidine-3-carboxamide
CID 43923934

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-1-[(2-chloro-6-fluorophenyl)methyl]piperidine-3-carboxamide?
The IUPAC name of N-tert-butyl-1-[(2-chloro-6-fluorophenyl)methyl]piperidine-3-carboxamide (CID 43918468) is N-tert-butyl-1-[(2-chloro-6-fluorophenyl)methyl]piperidine-3-carboxamide.
What is the SMILES notation for N-tert-butyl-1-[(2-chloro-6-fluorophenyl)methyl]piperidine-3-carboxamide?
The canonical SMILES for N-tert-butyl-1-[(2-chloro-6-fluorophenyl)methyl]piperidine-3-carboxamide is CC(C)(C)NC(=O)C1CCCN(Cc2c(F)cccc2Cl)C1.
What is the InChIKey of N-tert-butyl-1-[(2-chloro-6-fluorophenyl)methyl]piperidine-3-carboxamide?
The InChIKey is QPMAVECHLYHNTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24ClFN2O/c1-17(2,3)20-16(22)12-6-5-9-21(10-12)11-13-14(18)7-4-8-15(13)19/h4,7-8,12H,5-6,9-11H2,1-3H3,(H,20,22).
What are the key properties of N-tert-butyl-1-[(2-chloro-6-fluorophenyl)methyl]piperidine-3-carboxamide?
N-tert-butyl-1-[(2-chloro-6-fluorophenyl)methyl]piperidine-3-carboxamide has a molecular weight of 326.84 g/mol, XLogP of 3.61, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-1-[(2-chloro-6-fluorophenyl)methyl]piperidine-3-carboxamide is sourced from PubChem (CID 43918468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).