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

C16H23ClFN3O — CID 120910902

IUPAC3-amino-N-[[1-[(3-chloro-2-fluorophenyl)methyl]piperidin-2-yl]methyl]propanamide
SMILESNCCC(=O)NCC1CCCCN1Cc1cccc(Cl)c1F
InChIInChI=1S/C16H23ClFN3O/c17-14-6-3-4-12(16(14)18)11-21-9-2-1-5-13(21)10-20-15(22)7-8-19/h3-4,6,13H,1-2,5,7-11,19H2,(H,20,22)
InChIKeyKRPVFHSJCWJKCF-UHFFFAOYSA-N
MW327.83 g/mol
LogP2.30
Rot. Bonds6

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

3-amino-N-[[1-[(3-chloro-2-fluorophenyl)methyl]piperidin-2-yl]methyl]propanamide (PubChem CID 120910902) has the molecular formula C16H23ClFN3O and a molecular weight of 327.83 g/mol. Its IUPAC name is 3-amino-N-[[1-[(3-chloro-2-fluorophenyl)methyl]piperidin-2-yl]methyl]propanamide.

Molecular Properties

Compound Name3-amino-N-[[1-[(3-chloro-2-fluorophenyl)methyl]piperidin-2-yl]methyl]propanamide
PubChem CID120910902
Molecular FormulaC16H23ClFN3O
Molecular Weight327.83 g/mol
Exact Mass327.15
IUPAC Name3-amino-N-[[1-[(3-chloro-2-fluorophenyl)methyl]piperidin-2-yl]methyl]propanamide
SMILESNCCC(=O)NCC1CCCCN1Cc1cccc(Cl)c1F
InChIInChI=1S/C16H23ClFN3O/c17-14-6-3-4-12(16(14)18)11-21-9-2-1-5-13(21)10-20-15(22)7-8-19/h3-4,6,13H,1-2,5,7-11,19H2,(H,20,22)
InChIKeyKRPVFHSJCWJKCF-UHFFFAOYSA-N
XLogP2.30
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.83
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-[[1-[(2,5-difluorophenyl)methyl]piperidin-2-yl]methyl]propanamide;hydrochloride
CID 120581300
3-amino-N-[[1-[(2-bromophenyl)methyl]piperidin-2-yl]methyl]propanamide;hydrochloride
CID 120581348
3-amino-N-[[1-[(3-hydroxy-2-methoxyphenyl)methyl]piperidin-2-yl]methyl]propanamide
CID 120911276
3-amino-N-[[1-[(3-chloro-2-pyridinyl)methyl]piperidin-2-yl]methyl]propanamide
CID 166247213
2-[1-[(3-chloro-2-fluorophenyl)methyl]piperidin-2-yl]ethanol
CID 113345056
3-amino-N-[[1-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]piperidin-2-yl]methyl]propanamide
CID 120911502
3-amino-N-[[1-[[4-(2,2-difluoroethoxy)phenyl]methyl]piperidin-2-yl]methyl]propanamide;hydrochloride
CID 120911201
3-amino-N-[[1-[(5-chloro-1,3-thiazol-2-yl)methyl]piperidin-2-yl]methyl]propanamide
CID 120911016
3-amino-N-[[1-[(3-methyl-1-phenylpyrazol-4-yl)methyl]piperidin-2-yl]methyl]propanamide
CID 120911236
3-amino-N-[[1-(thiophen-2-ylmethyl)piperidin-2-yl]methyl]propanamide;hydrochloride
CID 120911439
3-amino-N-[[1-[(3,5-dimethylphenyl)methyl]piperidin-2-yl]methyl]propanamide
CID 120581429
3-amino-N-[[1-[(4-chloro-3-nitrophenyl)methyl]piperidin-2-yl]methyl]propanamide;hydrochloride
CID 120910957

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[[1-[(3-chloro-2-fluorophenyl)methyl]piperidin-2-yl]methyl]propanamide?
The IUPAC name of 3-amino-N-[[1-[(3-chloro-2-fluorophenyl)methyl]piperidin-2-yl]methyl]propanamide (CID 120910902) is 3-amino-N-[[1-[(3-chloro-2-fluorophenyl)methyl]piperidin-2-yl]methyl]propanamide.
What is the SMILES notation for 3-amino-N-[[1-[(3-chloro-2-fluorophenyl)methyl]piperidin-2-yl]methyl]propanamide?
The canonical SMILES for 3-amino-N-[[1-[(3-chloro-2-fluorophenyl)methyl]piperidin-2-yl]methyl]propanamide is NCCC(=O)NCC1CCCCN1Cc1cccc(Cl)c1F.
What is the InChIKey of 3-amino-N-[[1-[(3-chloro-2-fluorophenyl)methyl]piperidin-2-yl]methyl]propanamide?
The InChIKey is KRPVFHSJCWJKCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClFN3O/c17-14-6-3-4-12(16(14)18)11-21-9-2-1-5-13(21)10-20-15(22)7-8-19/h3-4,6,13H,1-2,5,7-11,19H2,(H,20,22).
What are the key properties of 3-amino-N-[[1-[(3-chloro-2-fluorophenyl)methyl]piperidin-2-yl]methyl]propanamide?
3-amino-N-[[1-[(3-chloro-2-fluorophenyl)methyl]piperidin-2-yl]methyl]propanamide has a molecular weight of 327.83 g/mol, XLogP of 2.30, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[[1-[(3-chloro-2-fluorophenyl)methyl]piperidin-2-yl]methyl]propanamide is sourced from PubChem (CID 120910902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).