1-[(2-chloro-6-fluorophenyl)methyl]-N-(2,4-dimethylpentan-3-yl)piperidine-3-carboxamide

C20H30ClFN2O — CID 43921338

IUPAC1-[(2-chloro-6-fluorophenyl)methyl]-N-(2,4-dimethylpentan-3-yl)piperidine-3-carboxamide
SMILESCC(C)C(NC(=O)C1CCCN(Cc2c(F)cccc2Cl)C1)C(C)C
InChIInChI=1S/C20H30ClFN2O/c1-13(2)19(14(3)4)23-20(25)15-7-6-10-24(11-15)12-16-17(21)8-5-9-18(16)22/h5,8-9,13-15,19H,6-7,10-12H2,1-4H3,(H,23,25)
InChIKeyDYGLOOYTVUMSPS-UHFFFAOYSA-N
MW368.92 g/mol
LogP4.49
Rot. Bonds6

About 1-[(2-chloro-6-fluorophenyl)methyl]-N-(2,4-dimethylpentan-3-yl)piperidine-3-carboxamide

1-[(2-chloro-6-fluorophenyl)methyl]-N-(2,4-dimethylpentan-3-yl)piperidine-3-carboxamide (PubChem CID 43921338) has the molecular formula C20H30ClFN2O and a molecular weight of 368.92 g/mol. Its IUPAC name is 1-[(2-chloro-6-fluorophenyl)methyl]-N-(2,4-dimethylpentan-3-yl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-[(2-chloro-6-fluorophenyl)methyl]-N-(2,4-dimethylpentan-3-yl)piperidine-3-carboxamide
PubChem CID43921338
Molecular FormulaC20H30ClFN2O
Molecular Weight368.92 g/mol
Exact Mass368.20
IUPAC Name1-[(2-chloro-6-fluorophenyl)methyl]-N-(2,4-dimethylpentan-3-yl)piperidine-3-carboxamide
SMILESCC(C)C(NC(=O)C1CCCN(Cc2c(F)cccc2Cl)C1)C(C)C
InChIInChI=1S/C20H30ClFN2O/c1-13(2)19(14(3)4)23-20(25)15-7-6-10-24(11-15)12-16-17(21)8-5-9-18(16)22/h5,8-9,13-15,19H,6-7,10-12H2,1-4H3,(H,23,25)
InChIKeyDYGLOOYTVUMSPS-UHFFFAOYSA-N
XLogP4.49
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.92
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-1-[(2,6-dichlorophenyl)methyl]-N-propan-2-ylpiperidine-3-carboxamide
CID 93490056
N-tert-butyl-1-[(2-chloro-6-fluorophenyl)methyl]piperidine-3-carboxamide
CID 43918468
(3R)-1-[(2-chlorophenyl)methyl]-N-(2,4-dimethylpentan-3-yl)piperidine-3-carboxamide
CID 93491358
(3R)-1-[(2,6-dichlorophenyl)methyl]-N-[(2R)-pentan-2-yl]piperidine-3-carboxamide
CID 93492247
1-[(2-chloro-6-fluorophenyl)methyl]-N-(2-propan-2-ylphenyl)piperidine-3-carboxamide
CID 43923934
N-[1-(4-chlorophenyl)ethyl]-1-[(2,6-dichlorophenyl)methyl]piperidine-3-carboxamide
CID 133260443
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
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
methyl 4-[[1-[(2-chloro-6-fluorophenyl)methyl]piperidine-3-carbonyl]amino]benzoate
CID 43920291

Frequently Asked Questions

What is the IUPAC name of 1-[(2-chloro-6-fluorophenyl)methyl]-N-(2,4-dimethylpentan-3-yl)piperidine-3-carboxamide?
The IUPAC name of 1-[(2-chloro-6-fluorophenyl)methyl]-N-(2,4-dimethylpentan-3-yl)piperidine-3-carboxamide (CID 43921338) is 1-[(2-chloro-6-fluorophenyl)methyl]-N-(2,4-dimethylpentan-3-yl)piperidine-3-carboxamide.
What is the SMILES notation for 1-[(2-chloro-6-fluorophenyl)methyl]-N-(2,4-dimethylpentan-3-yl)piperidine-3-carboxamide?
The canonical SMILES for 1-[(2-chloro-6-fluorophenyl)methyl]-N-(2,4-dimethylpentan-3-yl)piperidine-3-carboxamide is CC(C)C(NC(=O)C1CCCN(Cc2c(F)cccc2Cl)C1)C(C)C.
What is the InChIKey of 1-[(2-chloro-6-fluorophenyl)methyl]-N-(2,4-dimethylpentan-3-yl)piperidine-3-carboxamide?
The InChIKey is DYGLOOYTVUMSPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30ClFN2O/c1-13(2)19(14(3)4)23-20(25)15-7-6-10-24(11-15)12-16-17(21)8-5-9-18(16)22/h5,8-9,13-15,19H,6-7,10-12H2,1-4H3,(H,23,25).
What are the key properties of 1-[(2-chloro-6-fluorophenyl)methyl]-N-(2,4-dimethylpentan-3-yl)piperidine-3-carboxamide?
1-[(2-chloro-6-fluorophenyl)methyl]-N-(2,4-dimethylpentan-3-yl)piperidine-3-carboxamide has a molecular weight of 368.92 g/mol, XLogP of 4.49, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chloro-6-fluorophenyl)methyl]-N-(2,4-dimethylpentan-3-yl)piperidine-3-carboxamide is sourced from PubChem (CID 43921338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).