N-[1-[2-(2-chlorophenyl)acetyl]piperidin-4-yl]-2-methylpropanamide

C17H23ClN2O2 — CID 110822854

IUPACN-[1-[2-(2-chlorophenyl)acetyl]piperidin-4-yl]-2-methylpropanamide
SMILESCC(C)C(=O)NC1CCN(C(=O)Cc2ccccc2Cl)CC1
InChIInChI=1S/C17H23ClN2O2/c1-12(2)17(22)19-14-7-9-20(10-8-14)16(21)11-13-5-3-4-6-15(13)18/h3-6,12,14H,7-11H2,1-2H3,(H,19,22)
InChIKeySVHSEDMEXMTFPP-UHFFFAOYSA-N
MW322.84 g/mol
LogP2.65
Rot. Bonds4

About N-[1-[2-(2-chlorophenyl)acetyl]piperidin-4-yl]-2-methylpropanamide

N-[1-[2-(2-chlorophenyl)acetyl]piperidin-4-yl]-2-methylpropanamide (PubChem CID 110822854) has the molecular formula C17H23ClN2O2 and a molecular weight of 322.84 g/mol. Its IUPAC name is N-[1-[2-(2-chlorophenyl)acetyl]piperidin-4-yl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[1-[2-(2-chlorophenyl)acetyl]piperidin-4-yl]-2-methylpropanamide
PubChem CID110822854
Molecular FormulaC17H23ClN2O2
Molecular Weight322.84 g/mol
Exact Mass322.14
IUPAC NameN-[1-[2-(2-chlorophenyl)acetyl]piperidin-4-yl]-2-methylpropanamide
SMILESCC(C)C(=O)NC1CCN(C(=O)Cc2ccccc2Cl)CC1
InChIInChI=1S/C17H23ClN2O2/c1-12(2)17(22)19-14-7-9-20(10-8-14)16(21)11-13-5-3-4-6-15(13)18/h3-6,12,14H,7-11H2,1-2H3,(H,19,22)
InChIKeySVHSEDMEXMTFPP-UHFFFAOYSA-N
XLogP2.65
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.84
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-chlorophenyl)-1-[4-(methylamino)piperidin-1-yl]ethanone
CID 90382743
N-[1-[2-(2-chlorophenyl)acetyl]piperidin-4-yl]-2,2,2-trifluoroacetamide
CID 108932983
N-[1-[2-(2-chlorophenyl)acetyl]piperidin-4-yl]-2-cyanoacetamide
CID 108922333
N-[1-[2-(2-chlorophenyl)acetyl]piperidin-4-yl]propane-1-sulfonamide
CID 38822160
2-chloro-N-[1-(2-phenylacetyl)piperidin-4-yl]propanamide
CID 108564353
1-[4-(chloromethyl)piperidin-1-yl]-2-(2-chlorophenyl)ethanone
CID 63397989
4-[2-(2-chlorophenyl)acetyl]-N-propan-2-ylpiperazine-1-carboxamide
CID 47079935
1-[4-(bromomethyl)piperidin-1-yl]-2-(2-chlorophenyl)ethanone
CID 80677921
N-[1-[3-(2-fluorophenyl)propanoyl]piperidin-4-yl]-2-methylpropanamide
CID 110822692
(2S)-2-amino-1-[4-[2-(2-chlorophenyl)acetyl]piperazin-1-yl]propan-1-one
CID 119306660
2-methyl-N-(1-propanoylpiperidin-4-yl)propanamide
CID 60769090
N-[1-[4-(1,3-dioxoisoindol-2-yl)butanoyl]piperidin-4-yl]-2-methylpropanamide
CID 108558510

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(2-chlorophenyl)acetyl]piperidin-4-yl]-2-methylpropanamide?
The IUPAC name of N-[1-[2-(2-chlorophenyl)acetyl]piperidin-4-yl]-2-methylpropanamide (CID 110822854) is N-[1-[2-(2-chlorophenyl)acetyl]piperidin-4-yl]-2-methylpropanamide.
What is the SMILES notation for N-[1-[2-(2-chlorophenyl)acetyl]piperidin-4-yl]-2-methylpropanamide?
The canonical SMILES for N-[1-[2-(2-chlorophenyl)acetyl]piperidin-4-yl]-2-methylpropanamide is CC(C)C(=O)NC1CCN(C(=O)Cc2ccccc2Cl)CC1.
What is the InChIKey of N-[1-[2-(2-chlorophenyl)acetyl]piperidin-4-yl]-2-methylpropanamide?
The InChIKey is SVHSEDMEXMTFPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23ClN2O2/c1-12(2)17(22)19-14-7-9-20(10-8-14)16(21)11-13-5-3-4-6-15(13)18/h3-6,12,14H,7-11H2,1-2H3,(H,19,22).
What are the key properties of N-[1-[2-(2-chlorophenyl)acetyl]piperidin-4-yl]-2-methylpropanamide?
N-[1-[2-(2-chlorophenyl)acetyl]piperidin-4-yl]-2-methylpropanamide has a molecular weight of 322.84 g/mol, XLogP of 2.65, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(2-chlorophenyl)acetyl]piperidin-4-yl]-2-methylpropanamide is sourced from PubChem (CID 110822854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).