2-[(3-chloro-4-fluorophenyl)methyl-piperidin-4-ylamino]acetamide

C14H19ClFN3O — CID 103038748

IUPAC2-[(3-chloro-4-fluorophenyl)methyl-piperidin-4-ylamino]acetamide
SMILESNC(=O)CN(Cc1ccc(F)c(Cl)c1)C1CCNCC1
InChIInChI=1S/C14H19ClFN3O/c15-12-7-10(1-2-13(12)16)8-19(9-14(17)20)11-3-5-18-6-4-11/h1-2,7,11,18H,3-6,8-9H2,(H2,17,20)
InChIKeyGCVYWEKBWVLMSH-UHFFFAOYSA-N
MW299.78 g/mol
LogP1.52
Rot. Bonds5

About 2-[(3-chloro-4-fluorophenyl)methyl-piperidin-4-ylamino]acetamide

2-[(3-chloro-4-fluorophenyl)methyl-piperidin-4-ylamino]acetamide (PubChem CID 103038748) has the molecular formula C14H19ClFN3O and a molecular weight of 299.78 g/mol. Its IUPAC name is 2-[(3-chloro-4-fluorophenyl)methyl-piperidin-4-ylamino]acetamide.

Molecular Properties

Compound Name2-[(3-chloro-4-fluorophenyl)methyl-piperidin-4-ylamino]acetamide
PubChem CID103038748
Molecular FormulaC14H19ClFN3O
Molecular Weight299.78 g/mol
Exact Mass299.12
IUPAC Name2-[(3-chloro-4-fluorophenyl)methyl-piperidin-4-ylamino]acetamide
SMILESNC(=O)CN(Cc1ccc(F)c(Cl)c1)C1CCNCC1
InChIInChI=1S/C14H19ClFN3O/c15-12-7-10(1-2-13(12)16)8-19(9-14(17)20)11-3-5-18-6-4-11/h1-2,7,11,18H,3-6,8-9H2,(H2,17,20)
InChIKeyGCVYWEKBWVLMSH-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-[(2-chloro-6-fluorophenyl)methyl-piperidin-4-ylamino]acetamide
CID 60801937
3-[(3-chloro-4-fluorophenyl)methyl-cyclopropylamino]propanethioamide
CID 103038003
N-(2-amino-2-oxoethyl)-2-(4-chlorophenyl)-N-piperidin-4-ylacetamide
CID 60801057
N-(azetidin-3-ylmethyl)-N-[(3-chloro-4-fluorophenyl)methyl]cyclohexanamine
CID 142725296
N-(cyclopropylmethyl)-N-[(3,4-dichlorophenyl)methyl]piperidin-4-amine
CID 58624329
2-[(5-methyl-3-pyridinyl)methyl-piperidin-4-ylamino]acetamide
CID 102877705
N-[(3,4-dichlorophenyl)methyl]-N-ethylpiperidin-4-amine
CID 54923832
N-[(3-chloro-4-fluorophenyl)methyl]-N-methyl-1-piperidin-4-ylmethanamine;hydrochloride
CID 120849776
2-[(4-chloro-3-fluorophenyl)methyl-cyclopentylamino]acetic acid
CID 65058356
N-(cyclohexylmethyl)-N-[(3,4-dichlorophenyl)methyl]piperidin-4-amine
CID 58624330
N-(3-chloro-4-fluorophenyl)-2-[piperidin-4-yl(propyl)amino]acetamide
CID 119933053
N-[2-[3-[(3-chloro-4-fluorophenyl)methyl-piperidin-4-ylamino]-2-hydroxypropoxy]phenyl]benzamide
CID 22386956

Frequently Asked Questions

What is the IUPAC name of 2-[(3-chloro-4-fluorophenyl)methyl-piperidin-4-ylamino]acetamide?
The IUPAC name of 2-[(3-chloro-4-fluorophenyl)methyl-piperidin-4-ylamino]acetamide (CID 103038748) is 2-[(3-chloro-4-fluorophenyl)methyl-piperidin-4-ylamino]acetamide.
What is the SMILES notation for 2-[(3-chloro-4-fluorophenyl)methyl-piperidin-4-ylamino]acetamide?
The canonical SMILES for 2-[(3-chloro-4-fluorophenyl)methyl-piperidin-4-ylamino]acetamide is NC(=O)CN(Cc1ccc(F)c(Cl)c1)C1CCNCC1.
What is the InChIKey of 2-[(3-chloro-4-fluorophenyl)methyl-piperidin-4-ylamino]acetamide?
The InChIKey is GCVYWEKBWVLMSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClFN3O/c15-12-7-10(1-2-13(12)16)8-19(9-14(17)20)11-3-5-18-6-4-11/h1-2,7,11,18H,3-6,8-9H2,(H2,17,20).
What are the key properties of 2-[(3-chloro-4-fluorophenyl)methyl-piperidin-4-ylamino]acetamide?
2-[(3-chloro-4-fluorophenyl)methyl-piperidin-4-ylamino]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-[(3-chloro-4-fluorophenyl)methyl-piperidin-4-ylamino]acetamide is sourced from PubChem (CID 103038748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).