N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-2-(2-chloro-6-fluorophenyl)acetamide

C15H19ClFN3O2 — CID 134047741

IUPACN-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-2-(2-chloro-6-fluorophenyl)acetamide
SMILESNC(=O)CN1CCC(NC(=O)Cc2c(F)cccc2Cl)CC1
InChIInChI=1S/C15H19ClFN3O2/c16-12-2-1-3-13(17)11(12)8-15(22)19-10-4-6-20(7-5-10)9-14(18)21/h1-3,10H,4-9H2,(H2,18,21)(H,19,22)
InChIKeyROZFEKIXALJIPO-UHFFFAOYSA-N
MW327.79 g/mol
LogP1.09
Rot. Bonds5

About N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-2-(2-chloro-6-fluorophenyl)acetamide

N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-2-(2-chloro-6-fluorophenyl)acetamide (PubChem CID 134047741) has the molecular formula C15H19ClFN3O2 and a molecular weight of 327.79 g/mol. Its IUPAC name is N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-2-(2-chloro-6-fluorophenyl)acetamide.

Molecular Properties

Compound NameN-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-2-(2-chloro-6-fluorophenyl)acetamide
PubChem CID134047741
Molecular FormulaC15H19ClFN3O2
Molecular Weight327.79 g/mol
Exact Mass327.11
IUPAC NameN-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-2-(2-chloro-6-fluorophenyl)acetamide
SMILESNC(=O)CN1CCC(NC(=O)Cc2c(F)cccc2Cl)CC1
InChIInChI=1S/C15H19ClFN3O2/c16-12-2-1-3-13(17)11(12)8-15(22)19-10-4-6-20(7-5-10)9-14(18)21/h1-3,10H,4-9H2,(H2,18,21)(H,19,22)
InChIKeyROZFEKIXALJIPO-UHFFFAOYSA-N
XLogP1.09
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.79
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-chlorocyclohexyl)-2-(2-chloro-6-fluorophenyl)acetamide
CID 114297195
2-(2-chloro-6-fluorophenyl)-N-cyclohexylacetamide
CID 974091
N-[(3S,4R)-1-(2-amino-2-oxoethyl)-4-cyclopropylpyrrolidin-3-yl]-2-(2-chloro-6-fluorophenyl)acetamide
CID 133127632
2-(2-chloro-6-fluorophenyl)-N-pyrrolidin-3-ylacetamide
CID 55068411
2-[4-[(3-chloro-2-fluorophenyl)methylamino]piperidin-1-yl]acetamide
CID 115695785
2-[4-[(3-fluoro-2-hydroxyphenyl)methylamino]piperidin-1-yl]acetamide
CID 115951528
N-cyclopropyl-2-(2,6-dichlorophenyl)acetamide
CID 2682749
N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-3-(2,3-dichlorophenoxy)propanamide
CID 86822832
N-(4-tert-butylcyclohexyl)-2-(2-chloro-6-fluorophenyl)acetamide;carbonic acid
CID 22076120
2-[4-[(4-chloro-2-fluorophenyl)methylamino]piperidin-1-yl]acetamide
CID 114841998
N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-3-(3-fluorophenyl)propanamide
CID 134047878
2-[4-[(2,4,5-trifluorophenyl)methylamino]piperidin-1-yl]acetamide
CID 103792489

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-2-(2-chloro-6-fluorophenyl)acetamide?
The IUPAC name of N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-2-(2-chloro-6-fluorophenyl)acetamide (CID 134047741) is N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-2-(2-chloro-6-fluorophenyl)acetamide.
What is the SMILES notation for N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-2-(2-chloro-6-fluorophenyl)acetamide?
The canonical SMILES for N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-2-(2-chloro-6-fluorophenyl)acetamide is NC(=O)CN1CCC(NC(=O)Cc2c(F)cccc2Cl)CC1.
What is the InChIKey of N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-2-(2-chloro-6-fluorophenyl)acetamide?
The InChIKey is ROZFEKIXALJIPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClFN3O2/c16-12-2-1-3-13(17)11(12)8-15(22)19-10-4-6-20(7-5-10)9-14(18)21/h1-3,10H,4-9H2,(H2,18,21)(H,19,22).
What are the key properties of N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-2-(2-chloro-6-fluorophenyl)acetamide?
N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-2-(2-chloro-6-fluorophenyl)acetamide has a molecular weight of 327.79 g/mol, XLogP of 1.09, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-2-(2-chloro-6-fluorophenyl)acetamide is sourced from PubChem (CID 134047741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).