2-[4-[(3-chloro-2-fluorophenyl)methylamino]piperidin-1-yl]acetamide

C14H19ClFN3O — CID 115695785

IUPAC2-[4-[(3-chloro-2-fluorophenyl)methylamino]piperidin-1-yl]acetamide
SMILESNC(=O)CN1CCC(NCc2cccc(Cl)c2F)CC1
InChIInChI=1S/C14H19ClFN3O/c15-12-3-1-2-10(14(12)16)8-18-11-4-6-19(7-5-11)9-13(17)20/h1-3,11,18H,4-9H2,(H2,17,20)
InChIKeyFWPIIEMMKANHQW-UHFFFAOYSA-N
MW299.78 g/mol
LogP1.52
Rot. Bonds5

About 2-[4-[(3-chloro-2-fluorophenyl)methylamino]piperidin-1-yl]acetamide

2-[4-[(3-chloro-2-fluorophenyl)methylamino]piperidin-1-yl]acetamide (PubChem CID 115695785) has the molecular formula C14H19ClFN3O and a molecular weight of 299.78 g/mol. Its IUPAC name is 2-[4-[(3-chloro-2-fluorophenyl)methylamino]piperidin-1-yl]acetamide.

Molecular Properties

Compound Name2-[4-[(3-chloro-2-fluorophenyl)methylamino]piperidin-1-yl]acetamide
PubChem CID115695785
Molecular FormulaC14H19ClFN3O
Molecular Weight299.78 g/mol
Exact Mass299.12
IUPAC Name2-[4-[(3-chloro-2-fluorophenyl)methylamino]piperidin-1-yl]acetamide
SMILESNC(=O)CN1CCC(NCc2cccc(Cl)c2F)CC1
InChIInChI=1S/C14H19ClFN3O/c15-12-3-1-2-10(14(12)16)8-18-11-4-6-19(7-5-11)9-13(17)20/h1-3,11,18H,4-9H2,(H2,17,20)
InChIKeyFWPIIEMMKANHQW-UHFFFAOYSA-N
XLogP1.52
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.78
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-[(3-fluoro-2-hydroxyphenyl)methylamino]piperidin-1-yl]acetamide
CID 115951528
2-[4-[(2-aminophenyl)methylamino]piperidin-1-yl]acetamide
CID 66416889
2-[4-[(4-chloro-2-fluorophenyl)methylamino]piperidin-1-yl]acetamide
CID 114841998
2-[4-[(2,4,5-trifluorophenyl)methylamino]piperidin-1-yl]acetamide
CID 103792489
4-[(3-chloro-2-fluorophenyl)methylamino]cyclohexane-1-carboxylic acid
CID 114489051
N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-2-(2-chloro-6-fluorophenyl)acetamide
CID 134047741
2-[4-[(5-fluoro-2-hydroxyphenyl)methylamino]piperidin-1-yl]acetamide
CID 103948078
N-[(3-chloro-2-fluorophenyl)methyl]cycloheptanamine
CID 79033184
4-[[[1-(2-amino-2-oxoethyl)piperidin-4-yl]amino]methyl]benzoic acid
CID 65347580
1-(2-amino-2-oxoethyl)-N-[(2-chlorophenyl)methyl]piperidine-4-carboxamide
CID 16909154
2-[4-[(1-methylpyrrol-2-yl)methylamino]piperidin-1-yl]acetamide
CID 62132229
2-[4-[(3-hydroxyphenyl)methylamino]piperidin-1-yl]acetamide
CID 43746822

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(3-chloro-2-fluorophenyl)methylamino]piperidin-1-yl]acetamide?
The IUPAC name of 2-[4-[(3-chloro-2-fluorophenyl)methylamino]piperidin-1-yl]acetamide (CID 115695785) is 2-[4-[(3-chloro-2-fluorophenyl)methylamino]piperidin-1-yl]acetamide.
What is the SMILES notation for 2-[4-[(3-chloro-2-fluorophenyl)methylamino]piperidin-1-yl]acetamide?
The canonical SMILES for 2-[4-[(3-chloro-2-fluorophenyl)methylamino]piperidin-1-yl]acetamide is NC(=O)CN1CCC(NCc2cccc(Cl)c2F)CC1.
What is the InChIKey of 2-[4-[(3-chloro-2-fluorophenyl)methylamino]piperidin-1-yl]acetamide?
The InChIKey is FWPIIEMMKANHQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClFN3O/c15-12-3-1-2-10(14(12)16)8-18-11-4-6-19(7-5-11)9-13(17)20/h1-3,11,18H,4-9H2,(H2,17,20).
What are the key properties of 2-[4-[(3-chloro-2-fluorophenyl)methylamino]piperidin-1-yl]acetamide?
2-[4-[(3-chloro-2-fluorophenyl)methylamino]piperidin-1-yl]acetamide has a molecular weight of 299.78 g/mol, XLogP of 1.52, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(3-chloro-2-fluorophenyl)methylamino]piperidin-1-yl]acetamide is sourced from PubChem (CID 115695785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).