1-[(2-chloro-6-fluorophenyl)methyl]-N-[[(2R)-oxolan-2-yl]methyl]piperidine-4-carboxamide

C18H24ClFN2O2 — CID 1071360

IUPAC1-[(2-chloro-6-fluorophenyl)methyl]-N-[[(2R)-oxolan-2-yl]methyl]piperidine-4-carboxamide
SMILESO=C(NC[C@H]1CCCO1)C1CCN(Cc2c(F)cccc2Cl)CC1
InChIInChI=1S/C18H24ClFN2O2/c19-16-4-1-5-17(20)15(16)12-22-8-6-13(7-9-22)18(23)21-11-14-3-2-10-24-14/h1,4-5,13-14H,2-3,6-12H2,(H,21,23)/t14-/m1/s1
InChIKeyBITHNIUEUNMYAM-CQSZACIVSA-N
MW354.85 g/mol
LogP2.99
Rot. Bonds5

About 1-[(2-chloro-6-fluorophenyl)methyl]-N-[[(2R)-oxolan-2-yl]methyl]piperidine-4-carboxamide

1-[(2-chloro-6-fluorophenyl)methyl]-N-[[(2R)-oxolan-2-yl]methyl]piperidine-4-carboxamide (PubChem CID 1071360) has the molecular formula C18H24ClFN2O2 and a molecular weight of 354.85 g/mol. Its IUPAC name is 1-[(2-chloro-6-fluorophenyl)methyl]-N-[[(2R)-oxolan-2-yl]methyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[(2-chloro-6-fluorophenyl)methyl]-N-[[(2R)-oxolan-2-yl]methyl]piperidine-4-carboxamide
PubChem CID1071360
Molecular FormulaC18H24ClFN2O2
Molecular Weight354.85 g/mol
Exact Mass354.15
IUPAC Name1-[(2-chloro-6-fluorophenyl)methyl]-N-[[(2R)-oxolan-2-yl]methyl]piperidine-4-carboxamide
SMILESO=C(NC[C@H]1CCCO1)C1CCN(Cc2c(F)cccc2Cl)CC1
InChIInChI=1S/C18H24ClFN2O2/c19-16-4-1-5-17(20)15(16)12-22-8-6-13(7-9-22)18(23)21-11-14-3-2-10-24-14/h1,4-5,13-14H,2-3,6-12H2,(H,21,23)/t14-/m1/s1
InChIKeyBITHNIUEUNMYAM-CQSZACIVSA-N
XLogP2.99
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.85
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-chlorophenyl)methyl]oxolane-2-carboxamide
CID 2957283
1-(4-chlorobenzoyl)-N-(tetrahydro-2-furanylmethyl)-4-piperidinecarboxamide
CID 2921033
1-(2-chlorobenzyl)-5-oxo-N-(tetrahydrofuran-2-ylmethyl)prolinamide
CID 3245714
2-[1-[(2-chloro-6-fluorophenyl)methyl]-3-oxo-2-piperazinyl]-N-methyl-N-[2-(4-oxanyl)ethyl]acetamide
CID 24817333
2-(2-chloro-6-fluorophenyl)-N-(oxolan-2-ylmethyl)acetamide
CID 2963110
N-[(2-chloro-4-fluorophenyl)methyl]-1-pyrrolidin-1-ylsulfonylpiperidine-4-carboxamide
CID 4067210
N-(4-chlorobenzyl)-3-[2-(trifluoromethyl)morpholin-4-yl]propanamide
CID 56865847
N-(2-chlorobenzyl)-3-[2-(trifluoromethyl)morpholin-4-yl]propanamide
CID 56873831
N-(3-chlorobenzyl)-3-[2-(trifluoromethyl)morpholin-4-yl]propanamide
CID 56874597
N-(2-chloro-4-fluorobenzyl)-1-(methoxyacetyl)-3-piperidinecarboxamide
CID 72934381
1-[(4-chlorophenyl)methyl]-N-(3-morpholin-4-ylpropyl)piperidine-4-carboxamide
CID 3678032
N-(2-Chloro-6-fluorobenzyl)-1-(tetrahydrofuran-2-yl)methanamine
CID 2959826

Frequently Asked Questions

What is the IUPAC name of 1-[(2-chloro-6-fluorophenyl)methyl]-N-[[(2R)-oxolan-2-yl]methyl]piperidine-4-carboxamide?
The IUPAC name of 1-[(2-chloro-6-fluorophenyl)methyl]-N-[[(2R)-oxolan-2-yl]methyl]piperidine-4-carboxamide (CID 1071360) is 1-[(2-chloro-6-fluorophenyl)methyl]-N-[[(2R)-oxolan-2-yl]methyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[(2-chloro-6-fluorophenyl)methyl]-N-[[(2R)-oxolan-2-yl]methyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[(2-chloro-6-fluorophenyl)methyl]-N-[[(2R)-oxolan-2-yl]methyl]piperidine-4-carboxamide is O=C(NC[C@H]1CCCO1)C1CCN(Cc2c(F)cccc2Cl)CC1.
What is the InChIKey of 1-[(2-chloro-6-fluorophenyl)methyl]-N-[[(2R)-oxolan-2-yl]methyl]piperidine-4-carboxamide?
The InChIKey is BITHNIUEUNMYAM-CQSZACIVSA-N. The full InChI is InChI=1S/C18H24ClFN2O2/c19-16-4-1-5-17(20)15(16)12-22-8-6-13(7-9-22)18(23)21-11-14-3-2-10-24-14/h1,4-5,13-14H,2-3,6-12H2,(H,21,23)/t14-/m1/s1.
What are the key properties of 1-[(2-chloro-6-fluorophenyl)methyl]-N-[[(2R)-oxolan-2-yl]methyl]piperidine-4-carboxamide?
1-[(2-chloro-6-fluorophenyl)methyl]-N-[[(2R)-oxolan-2-yl]methyl]piperidine-4-carboxamide has a molecular weight of 354.85 g/mol, XLogP of 2.99, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chloro-6-fluorophenyl)methyl]-N-[[(2R)-oxolan-2-yl]methyl]piperidine-4-carboxamide is sourced from PubChem (CID 1071360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).