N-(4-chloro-2-methylphenyl)-2-(2-oxopiperidin-1-yl)acetamide

C14H17ClN2O2 — CID 86930614

IUPACN-(4-chloro-2-methylphenyl)-2-(2-oxopiperidin-1-yl)acetamide
SMILESCc1cc(Cl)ccc1NC(=O)CN1CCCCC1=O
InChIInChI=1S/C14H17ClN2O2/c1-10-8-11(15)5-6-12(10)16-13(18)9-17-7-3-2-4-14(17)19/h5-6,8H,2-4,7,9H2,1H3,(H,16,18)
InChIKeyQGMNYKOBIYYTMH-UHFFFAOYSA-N
MW280.75 g/mol
LogP2.60
Rot. Bonds3

About N-(4-chloro-2-methylphenyl)-2-(2-oxopiperidin-1-yl)acetamide

N-(4-chloro-2-methylphenyl)-2-(2-oxopiperidin-1-yl)acetamide (PubChem CID 86930614) has the molecular formula C14H17ClN2O2 and a molecular weight of 280.75 g/mol. Its IUPAC name is N-(4-chloro-2-methylphenyl)-2-(2-oxopiperidin-1-yl)acetamide.

Molecular Properties

Compound NameN-(4-chloro-2-methylphenyl)-2-(2-oxopiperidin-1-yl)acetamide
PubChem CID86930614
Molecular FormulaC14H17ClN2O2
Molecular Weight280.75 g/mol
Exact Mass280.10
IUPAC NameN-(4-chloro-2-methylphenyl)-2-(2-oxopiperidin-1-yl)acetamide
SMILESCc1cc(Cl)ccc1NC(=O)CN1CCCCC1=O
InChIInChI=1S/C14H17ClN2O2/c1-10-8-11(15)5-6-12(10)16-13(18)9-17-7-3-2-4-14(17)19/h5-6,8H,2-4,7,9H2,1H3,(H,16,18)
InChIKeyQGMNYKOBIYYTMH-UHFFFAOYSA-N
XLogP2.60
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.75
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-amino-5-chlorophenyl)-2-(2-oxopyrrolidin-1-yl)acetamide
CID 16794654
N-[4-(4-ethylpiperazin-1-yl)-2-methylphenyl]-2-(2-oxopiperidin-1-yl)acetamide
CID 78868578
N-(2-bromo-4-methylphenyl)-2-(2-oxopiperidin-1-yl)acetamide
CID 110689876
N-(3,5-dichlorophenyl)-2-(2-oxopiperidin-1-yl)acetamide
CID 110689887
N-(2-chloro-4-fluorophenyl)-2-(2-oxoazepan-1-yl)acetamide
CID 4787566
N-(6-chloro-4-methyl-3-pyridinyl)-2-(2-oxopyrrolidin-1-yl)acetamide
CID 113262958
N-(4-chloro-2-methylphenyl)-2-(2,3-dihydroindol-1-yl)acetamide
CID 109007270
N-(2-benzoyl-4-chlorophenyl)-2-(2-oxopyrrolidin-1-yl)acetamide
CID 100774842
N-(3-fluoro-4-methylphenyl)-2-(2-oxopyrrolidin-1-yl)acetamide
CID 9210623
N-(4-methoxy-3-methylphenyl)-2-(2-oxopiperidin-1-yl)acetamide
CID 87032394
N-(4-chloro-2-methylphenyl)-2-(1,3-dioxo-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazol-2-yl)acetamide
CID 24534157
N-(4-amino-2-bromophenyl)-2-(2-oxopiperidin-1-yl)acetamide
CID 43376282

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-methylphenyl)-2-(2-oxopiperidin-1-yl)acetamide?
The IUPAC name of N-(4-chloro-2-methylphenyl)-2-(2-oxopiperidin-1-yl)acetamide (CID 86930614) is N-(4-chloro-2-methylphenyl)-2-(2-oxopiperidin-1-yl)acetamide.
What is the SMILES notation for N-(4-chloro-2-methylphenyl)-2-(2-oxopiperidin-1-yl)acetamide?
The canonical SMILES for N-(4-chloro-2-methylphenyl)-2-(2-oxopiperidin-1-yl)acetamide is Cc1cc(Cl)ccc1NC(=O)CN1CCCCC1=O.
What is the InChIKey of N-(4-chloro-2-methylphenyl)-2-(2-oxopiperidin-1-yl)acetamide?
The InChIKey is QGMNYKOBIYYTMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN2O2/c1-10-8-11(15)5-6-12(10)16-13(18)9-17-7-3-2-4-14(17)19/h5-6,8H,2-4,7,9H2,1H3,(H,16,18).
What are the key properties of N-(4-chloro-2-methylphenyl)-2-(2-oxopiperidin-1-yl)acetamide?
N-(4-chloro-2-methylphenyl)-2-(2-oxopiperidin-1-yl)acetamide has a molecular weight of 280.75 g/mol, XLogP of 2.60, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-methylphenyl)-2-(2-oxopiperidin-1-yl)acetamide is sourced from PubChem (CID 86930614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).