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

C18H24ClFN2O2 — CID 100684521

IUPAC1-[(4-chloro-2-fluorophenyl)methyl]-N-[[(2S)-oxolan-2-yl]methyl]piperidine-4-carboxamide
SMILESO=C(NC[C@@H]1CCCO1)C1CCN(Cc2ccc(Cl)cc2F)CC1
InChIInChI=1S/C18H24ClFN2O2/c19-15-4-3-14(17(20)10-15)12-22-7-5-13(6-8-22)18(23)21-11-16-2-1-9-24-16/h3-4,10,13,16H,1-2,5-9,11-12H2,(H,21,23)/t16-/m0/s1
InChIKeyIDKITEASFYMXQR-INIZCTEOSA-N
MW354.85 g/mol
LogP2.99
Rot. Bonds5

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

1-[(4-chloro-2-fluorophenyl)methyl]-N-[[(2S)-oxolan-2-yl]methyl]piperidine-4-carboxamide (PubChem CID 100684521) has the molecular formula C18H24ClFN2O2 and a molecular weight of 354.85 g/mol. Its IUPAC name is 1-[(4-chloro-2-fluorophenyl)methyl]-N-[[(2S)-oxolan-2-yl]methyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[(4-chloro-2-fluorophenyl)methyl]-N-[[(2S)-oxolan-2-yl]methyl]piperidine-4-carboxamide
PubChem CID100684521
Molecular FormulaC18H24ClFN2O2
Molecular Weight354.85 g/mol
Exact Mass354.15
IUPAC Name1-[(4-chloro-2-fluorophenyl)methyl]-N-[[(2S)-oxolan-2-yl]methyl]piperidine-4-carboxamide
SMILESO=C(NC[C@@H]1CCCO1)C1CCN(Cc2ccc(Cl)cc2F)CC1
InChIInChI=1S/C18H24ClFN2O2/c19-15-4-3-14(17(20)10-15)12-22-7-5-13(6-8-22)18(23)21-11-16-2-1-9-24-16/h3-4,10,13,16H,1-2,5-9,11-12H2,(H,21,23)/t16-/m0/s1
InChIKeyIDKITEASFYMXQR-INIZCTEOSA-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

1-(6-chloro-1,3-benzoxazol-2-yl)-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide
CID 154569216
1-[(4-ethylphenyl)methyl]-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide
CID 3148903
1-[(2,4-dimethoxyphenyl)methyl]-N-[[(2R)-oxolan-2-yl]methyl]piperidine-4-carboxamide
CID 1071362
1-[(2,4-dimethoxyphenyl)methyl]-N-[[(2S)-oxolan-2-yl]methyl]piperidine-4-carboxamide
CID 1071363
1-[(4-chloro-2-fluorophenyl)methyl]-N-[(4-fluorophenyl)methyl]piperidine-4-carboxamide
CID 99827159
2-[(4-chloro-2-fluorophenyl)methylsulfanyl]-N-(oxolan-2-ylmethyl)acetamide
CID 133200042
1-[(4-chloro-2-fluorophenyl)methyl]-N-(3-methoxypropyl)piperidine-4-carboxamide
CID 99826884
1-[(4-chloro-2-fluorophenyl)methyl]-N-phenylpiperidine-4-carboxamide
CID 99826811
1-[(2-ethoxyphenyl)methyl]-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide;hydrochloride
CID 163328027
1-[(2-chloro-6-fluorophenyl)methylsulfonyl]-N-[[(2R)-oxolan-2-yl]methyl]piperidine-4-carboxamide
CID 92802496
1-[(4-chloro-2-fluorophenyl)methyl]-N-pentan-3-ylpiperidine-4-carboxamide
CID 100689176
N-(oxolan-2-ylmethyl)-1-(2,3,4-trifluorobenzoyl)piperidine-4-carboxamide
CID 113003389

Frequently Asked Questions

What is the IUPAC name of 1-[(4-chloro-2-fluorophenyl)methyl]-N-[[(2S)-oxolan-2-yl]methyl]piperidine-4-carboxamide?
The IUPAC name of 1-[(4-chloro-2-fluorophenyl)methyl]-N-[[(2S)-oxolan-2-yl]methyl]piperidine-4-carboxamide (CID 100684521) is 1-[(4-chloro-2-fluorophenyl)methyl]-N-[[(2S)-oxolan-2-yl]methyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[(4-chloro-2-fluorophenyl)methyl]-N-[[(2S)-oxolan-2-yl]methyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[(4-chloro-2-fluorophenyl)methyl]-N-[[(2S)-oxolan-2-yl]methyl]piperidine-4-carboxamide is O=C(NC[C@@H]1CCCO1)C1CCN(Cc2ccc(Cl)cc2F)CC1.
What is the InChIKey of 1-[(4-chloro-2-fluorophenyl)methyl]-N-[[(2S)-oxolan-2-yl]methyl]piperidine-4-carboxamide?
The InChIKey is IDKITEASFYMXQR-INIZCTEOSA-N. The full InChI is InChI=1S/C18H24ClFN2O2/c19-15-4-3-14(17(20)10-15)12-22-7-5-13(6-8-22)18(23)21-11-16-2-1-9-24-16/h3-4,10,13,16H,1-2,5-9,11-12H2,(H,21,23)/t16-/m0/s1.
What are the key properties of 1-[(4-chloro-2-fluorophenyl)methyl]-N-[[(2S)-oxolan-2-yl]methyl]piperidine-4-carboxamide?
1-[(4-chloro-2-fluorophenyl)methyl]-N-[[(2S)-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-[(4-chloro-2-fluorophenyl)methyl]-N-[[(2S)-oxolan-2-yl]methyl]piperidine-4-carboxamide is sourced from PubChem (CID 100684521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).