3-[(3R)-1-[(3-chloro-2-fluorophenyl)methyl]piperidin-3-yl]propanamide

C15H20ClFN2O — CID 97157958

IUPAC3-[(3R)-1-[(3-chloro-2-fluorophenyl)methyl]piperidin-3-yl]propanamide
SMILESNC(=O)CC[C@H]1CCCN(Cc2cccc(Cl)c2F)C1
InChIInChI=1S/C15H20ClFN2O/c16-13-5-1-4-12(15(13)17)10-19-8-2-3-11(9-19)6-7-14(18)20/h1,4-5,11H,2-3,6-10H2,(H2,18,20)/t11-/m1/s1
InChIKeyFCGZTPHRCHITKU-LLVKDONJSA-N
MW298.79 g/mol
LogP2.96
Rot. Bonds5

About 3-[(3R)-1-[(3-chloro-2-fluorophenyl)methyl]piperidin-3-yl]propanamide

3-[(3R)-1-[(3-chloro-2-fluorophenyl)methyl]piperidin-3-yl]propanamide (PubChem CID 97157958) has the molecular formula C15H20ClFN2O and a molecular weight of 298.79 g/mol. Its IUPAC name is 3-[(3R)-1-[(3-chloro-2-fluorophenyl)methyl]piperidin-3-yl]propanamide.

Molecular Properties

Compound Name3-[(3R)-1-[(3-chloro-2-fluorophenyl)methyl]piperidin-3-yl]propanamide
PubChem CID97157958
Molecular FormulaC15H20ClFN2O
Molecular Weight298.79 g/mol
Exact Mass298.12
IUPAC Name3-[(3R)-1-[(3-chloro-2-fluorophenyl)methyl]piperidin-3-yl]propanamide
SMILESNC(=O)CC[C@H]1CCCN(Cc2cccc(Cl)c2F)C1
InChIInChI=1S/C15H20ClFN2O/c16-13-5-1-4-12(15(13)17)10-19-8-2-3-11(9-19)6-7-14(18)20/h1,4-5,11H,2-3,6-10H2,(H2,18,20)/t11-/m1/s1
InChIKeyFCGZTPHRCHITKU-LLVKDONJSA-N
XLogP2.96
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.79
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(3R)-1-[(2-ethylphenyl)methyl]piperidin-3-yl]propanamide
CID 95716606
(3R)-1-[(3-chloro-2-fluorophenyl)methyl]piperidin-3-amine
CID 24904568
3-[1-[(2-methoxyphenyl)methyl]piperidin-3-yl]propanamide
CID 75514876
2-[1-[(3-chloro-2-fluorophenyl)methyl]piperidin-3-yl]-2-methylpropanoic acid
CID 114489126
3-(2-bromoethyl)-1-[(3-chloro-2-fluorophenyl)methyl]pyrrolidine
CID 102859985
2-[1-[(2-chloro-3-fluorophenyl)methyl]piperidin-3-yl]ethanamine
CID 112652826
2-[1-[(2,3-dichlorophenyl)methyl]piperidin-3-yl]ethanol
CID 113346057
3-(bromomethyl)-1-[(3-chloro-2-fluorophenyl)methyl]pyrrolidine
CID 102859873
3-(2-chloroethyl)-1-[(2-chloro-3-fluorophenyl)methyl]piperidine
CID 112654364
3-[1-[(2-chlorophenyl)methyl]piperidin-3-yl]-N-methyl-N-(1-methylpiperidin-4-yl)propanamide
CID 45192669
3-[(3S)-1-[(3-methyl-1-phenylpyrazol-4-yl)methyl]piperidin-3-yl]propanamide
CID 95722904
2-[1-[(2-chlorophenyl)methyl]piperidin-3-yl]ethanamine;hydrochloride
CID 120728383

Frequently Asked Questions

What is the IUPAC name of 3-[(3R)-1-[(3-chloro-2-fluorophenyl)methyl]piperidin-3-yl]propanamide?
The IUPAC name of 3-[(3R)-1-[(3-chloro-2-fluorophenyl)methyl]piperidin-3-yl]propanamide (CID 97157958) is 3-[(3R)-1-[(3-chloro-2-fluorophenyl)methyl]piperidin-3-yl]propanamide.
What is the SMILES notation for 3-[(3R)-1-[(3-chloro-2-fluorophenyl)methyl]piperidin-3-yl]propanamide?
The canonical SMILES for 3-[(3R)-1-[(3-chloro-2-fluorophenyl)methyl]piperidin-3-yl]propanamide is NC(=O)CC[C@H]1CCCN(Cc2cccc(Cl)c2F)C1.
What is the InChIKey of 3-[(3R)-1-[(3-chloro-2-fluorophenyl)methyl]piperidin-3-yl]propanamide?
The InChIKey is FCGZTPHRCHITKU-LLVKDONJSA-N. The full InChI is InChI=1S/C15H20ClFN2O/c16-13-5-1-4-12(15(13)17)10-19-8-2-3-11(9-19)6-7-14(18)20/h1,4-5,11H,2-3,6-10H2,(H2,18,20)/t11-/m1/s1.
What are the key properties of 3-[(3R)-1-[(3-chloro-2-fluorophenyl)methyl]piperidin-3-yl]propanamide?
3-[(3R)-1-[(3-chloro-2-fluorophenyl)methyl]piperidin-3-yl]propanamide has a molecular weight of 298.79 g/mol, XLogP of 2.96, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3R)-1-[(3-chloro-2-fluorophenyl)methyl]piperidin-3-yl]propanamide is sourced from PubChem (CID 97157958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).