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

C14H19ClFN3O — CID 114841998

IUPAC2-[4-[(4-chloro-2-fluorophenyl)methylamino]piperidin-1-yl]acetamide
SMILESNC(=O)CN1CCC(NCc2ccc(Cl)cc2F)CC1
InChIInChI=1S/C14H19ClFN3O/c15-11-2-1-10(13(16)7-11)8-18-12-3-5-19(6-4-12)9-14(17)20/h1-2,7,12,18H,3-6,8-9H2,(H2,17,20)
InChIKeyHCHVYPVCTXNIBX-UHFFFAOYSA-N
MW299.78 g/mol
LogP1.52
Rot. Bonds5

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

2-[4-[(4-chloro-2-fluorophenyl)methylamino]piperidin-1-yl]acetamide (PubChem CID 114841998) has the molecular formula C14H19ClFN3O and a molecular weight of 299.78 g/mol. Its IUPAC name is 2-[4-[(4-chloro-2-fluorophenyl)methylamino]piperidin-1-yl]acetamide.

Molecular Properties

Compound Name2-[4-[(4-chloro-2-fluorophenyl)methylamino]piperidin-1-yl]acetamide
PubChem CID114841998
Molecular FormulaC14H19ClFN3O
Molecular Weight299.78 g/mol
Exact Mass299.12
IUPAC Name2-[4-[(4-chloro-2-fluorophenyl)methylamino]piperidin-1-yl]acetamide
SMILESNC(=O)CN1CCC(NCc2ccc(Cl)cc2F)CC1
InChIInChI=1S/C14H19ClFN3O/c15-11-2-1-10(13(16)7-11)8-18-12-3-5-19(6-4-12)9-14(17)20/h1-2,7,12,18H,3-6,8-9H2,(H2,17,20)
InChIKeyHCHVYPVCTXNIBX-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-[(2,4,5-trifluorophenyl)methylamino]piperidin-1-yl]acetamide
CID 103792489
2-[4-[(3-fluoro-2-hydroxyphenyl)methylamino]piperidin-1-yl]acetamide
CID 115951528
2-[4-[(5-chloro-2-methoxyphenyl)methylamino]piperidin-1-yl]acetamide
CID 61038393
2-[4-[(3-chloro-2-fluorophenyl)methylamino]piperidin-1-yl]acetamide
CID 115695785
2-[4-[(5-fluoro-2-hydroxyphenyl)methylamino]piperidin-1-yl]acetamide
CID 103948078
2-[4-[(2-aminophenyl)methylamino]piperidin-1-yl]acetamide
CID 66416889
1-(2-aminoethyl)-N-[(5-chloro-2-fluorophenyl)methyl]piperidin-4-amine
CID 117044801
2-[4-[(4-bromo-3-chlorophenyl)methylamino]piperidin-1-yl]acetamide
CID 103581535
N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-5-chloro-2-hydroxybenzamide
CID 134047749
2-amino-N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-5-chlorobenzamide
CID 61140773
N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-2-(2-chloro-6-fluorophenyl)acetamide
CID 134047741
2-[4-[(5-chloro-3-fluoro-2-hydroxyphenyl)methylamino]piperidin-1-yl]-N,N-dimethylacetamide
CID 146104505

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(4-chloro-2-fluorophenyl)methylamino]piperidin-1-yl]acetamide?
The IUPAC name of 2-[4-[(4-chloro-2-fluorophenyl)methylamino]piperidin-1-yl]acetamide (CID 114841998) is 2-[4-[(4-chloro-2-fluorophenyl)methylamino]piperidin-1-yl]acetamide.
What is the SMILES notation for 2-[4-[(4-chloro-2-fluorophenyl)methylamino]piperidin-1-yl]acetamide?
The canonical SMILES for 2-[4-[(4-chloro-2-fluorophenyl)methylamino]piperidin-1-yl]acetamide is NC(=O)CN1CCC(NCc2ccc(Cl)cc2F)CC1.
What is the InChIKey of 2-[4-[(4-chloro-2-fluorophenyl)methylamino]piperidin-1-yl]acetamide?
The InChIKey is HCHVYPVCTXNIBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClFN3O/c15-11-2-1-10(13(16)7-11)8-18-12-3-5-19(6-4-12)9-14(17)20/h1-2,7,12,18H,3-6,8-9H2,(H2,17,20).
What are the key properties of 2-[4-[(4-chloro-2-fluorophenyl)methylamino]piperidin-1-yl]acetamide?
2-[4-[(4-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-[(4-chloro-2-fluorophenyl)methylamino]piperidin-1-yl]acetamide is sourced from PubChem (CID 114841998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).