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

C17H25FN2O — CID 43918466

IUPACN-tert-butyl-1-[(2-fluorophenyl)methyl]piperidine-3-carboxamide
SMILESCC(C)(C)NC(=O)C1CCCN(Cc2ccccc2F)C1
InChIInChI=1S/C17H25FN2O/c1-17(2,3)19-16(21)14-8-6-10-20(12-14)11-13-7-4-5-9-15(13)18/h4-5,7,9,14H,6,8,10-12H2,1-3H3,(H,19,21)
InChIKeyCBVABEAHQRKYHP-UHFFFAOYSA-N
MW292.40 g/mol
LogP2.95
Rot. Bonds3

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

N-tert-butyl-1-[(2-fluorophenyl)methyl]piperidine-3-carboxamide (PubChem CID 43918466) has the molecular formula C17H25FN2O and a molecular weight of 292.40 g/mol. Its IUPAC name is N-tert-butyl-1-[(2-fluorophenyl)methyl]piperidine-3-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-1-[(2-fluorophenyl)methyl]piperidine-3-carboxamide
PubChem CID43918466
Molecular FormulaC17H25FN2O
Molecular Weight292.40 g/mol
Exact Mass292.20
IUPAC NameN-tert-butyl-1-[(2-fluorophenyl)methyl]piperidine-3-carboxamide
SMILESCC(C)(C)NC(=O)C1CCCN(Cc2ccccc2F)C1
InChIInChI=1S/C17H25FN2O/c1-17(2,3)19-16(21)14-8-6-10-20(12-14)11-13-7-4-5-9-15(13)18/h4-5,7,9,14H,6,8,10-12H2,1-3H3,(H,19,21)
InChIKeyCBVABEAHQRKYHP-UHFFFAOYSA-N
XLogP2.95
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.40
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-tert-butyl-1-[(2-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

1-[(2-fluorophenyl)methyl]-N-methylpiperidine-3-carboxamide
CID 43918336
N-tert-butyl-1-[(2-chloro-6-fluorophenyl)methyl]piperidine-3-carboxamide
CID 43918468
1-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]ethanone
CID 63846661
1-[(2-fluorophenyl)methyl]-N-pentan-2-ylpiperidine-3-carboxamide
CID 43924676
N-benzhydryl-1-[(2-fluorophenyl)methyl]piperidine-3-carboxamide
CID 43925897
N-tert-butyl-1-[2-(2-fluoroanilino)-2-oxoethyl]piperidine-3-carboxamide
CID 166601926
N-tert-butyl-1-[(4-chlorophenyl)methyl]piperidine-3-carboxamide
CID 43918460
N-(5-chloro-2-methylphenyl)-1-[(2-fluorophenyl)methyl]piperidine-3-carboxamide
CID 43921605
(3R)-N-tert-butyl-1-[(2,6-dichlorophenyl)methyl]piperidine-3-carboxamide
CID 93490092
azepan-1-yl-[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]methanone
CID 756318
1-[(2-fluorophenyl)methyl]-N-naphthalen-1-ylpiperidine-3-carboxamide
CID 43919580
N-(3-ethoxypropyl)-1-[(2-fluorophenyl)methyl]piperidine-3-carboxamide
CID 43923972

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-1-[(2-fluorophenyl)methyl]piperidine-3-carboxamide?
The IUPAC name of N-tert-butyl-1-[(2-fluorophenyl)methyl]piperidine-3-carboxamide (CID 43918466) is N-tert-butyl-1-[(2-fluorophenyl)methyl]piperidine-3-carboxamide.
What is the SMILES notation for N-tert-butyl-1-[(2-fluorophenyl)methyl]piperidine-3-carboxamide?
The canonical SMILES for N-tert-butyl-1-[(2-fluorophenyl)methyl]piperidine-3-carboxamide is CC(C)(C)NC(=O)C1CCCN(Cc2ccccc2F)C1.
What is the InChIKey of N-tert-butyl-1-[(2-fluorophenyl)methyl]piperidine-3-carboxamide?
The InChIKey is CBVABEAHQRKYHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25FN2O/c1-17(2,3)19-16(21)14-8-6-10-20(12-14)11-13-7-4-5-9-15(13)18/h4-5,7,9,14H,6,8,10-12H2,1-3H3,(H,19,21).
What are the key properties of N-tert-butyl-1-[(2-fluorophenyl)methyl]piperidine-3-carboxamide?
N-tert-butyl-1-[(2-fluorophenyl)methyl]piperidine-3-carboxamide has a molecular weight of 292.40 g/mol, XLogP of 2.95, 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-fluorophenyl)methyl]piperidine-3-carboxamide is sourced from PubChem (CID 43918466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).