1-[2-[(2-chlorophenyl)methyl-methylamino]acetyl]piperidin-4-one

C15H19ClN2O2 — CID 60692160

IUPAC1-[2-[(2-chlorophenyl)methyl-methylamino]acetyl]piperidin-4-one
SMILESCN(CC(=O)N1CCC(=O)CC1)Cc1ccccc1Cl
InChIInChI=1S/C15H19ClN2O2/c1-17(10-12-4-2-3-5-14(12)16)11-15(20)18-8-6-13(19)7-9-18/h2-5H,6-11H2,1H3
InChIKeyCGXRIVXBYDOLGX-UHFFFAOYSA-N
MW294.78 g/mol
LogP1.96
Rot. Bonds4

About 1-[2-[(2-chlorophenyl)methyl-methylamino]acetyl]piperidin-4-one

1-[2-[(2-chlorophenyl)methyl-methylamino]acetyl]piperidin-4-one (PubChem CID 60692160) has the molecular formula C15H19ClN2O2 and a molecular weight of 294.78 g/mol. Its IUPAC name is 1-[2-[(2-chlorophenyl)methyl-methylamino]acetyl]piperidin-4-one.

Molecular Properties

Compound Name1-[2-[(2-chlorophenyl)methyl-methylamino]acetyl]piperidin-4-one
PubChem CID60692160
Molecular FormulaC15H19ClN2O2
Molecular Weight294.78 g/mol
Exact Mass294.11
IUPAC Name1-[2-[(2-chlorophenyl)methyl-methylamino]acetyl]piperidin-4-one
SMILESCN(CC(=O)N1CCC(=O)CC1)Cc1ccccc1Cl
InChIInChI=1S/C15H19ClN2O2/c1-17(10-12-4-2-3-5-14(12)16)11-15(20)18-8-6-13(19)7-9-18/h2-5H,6-11H2,1H3
InChIKeyCGXRIVXBYDOLGX-UHFFFAOYSA-N
XLogP1.96
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.78
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-[benzyl(methyl)amino]acetyl]piperidin-4-one
CID 60683935
2-[(2-fluorophenyl)methyl-methylamino]-1-pyrrolidin-1-ylethanone
CID 47006721
1-(azepan-1-yl)-2-[(2-fluorophenyl)methyl-methylamino]ethanone
CID 78791327
1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[methyl-[(2-piperidin-1-ylphenyl)methyl]amino]ethanone
CID 27101948
1-(2-chlorophenyl)-N-[(2-chlorophenyl)methyl]-N-methylmethanamine
CID 71304139
2-[methyl-[(2-methylphenyl)methyl]amino]-1-[4-[(2-methylphenyl)methyl]piperazin-1-yl]ethanone
CID 55410001
1-[2-[(2-hydroxy-2-methylpropyl)-methylamino]acetyl]piperidin-4-one
CID 79389678
N-[(2-chlorophenyl)methyl]-N-methylpiperidine-1-carboxamide
CID 115578615
2-[2-[[(2-chlorophenyl)methyl-methylamino]methyl]phenyl]acetic acid
CID 115462653
1-[2-[(2-bromophenyl)methyl-methylamino]acetyl]piperidine-4-carboxamide
CID 78787606
2-[(2-chloro-6-hydroxyphenyl)methyl-methylamino]-1-piperazin-1-ylethanone
CID 114321058
1-(4-methylpiperazin-1-yl)-2-[methyl-[[2-(trifluoromethyl)phenyl]methyl]amino]ethanone
CID 171907358

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(2-chlorophenyl)methyl-methylamino]acetyl]piperidin-4-one?
The IUPAC name of 1-[2-[(2-chlorophenyl)methyl-methylamino]acetyl]piperidin-4-one (CID 60692160) is 1-[2-[(2-chlorophenyl)methyl-methylamino]acetyl]piperidin-4-one.
What is the SMILES notation for 1-[2-[(2-chlorophenyl)methyl-methylamino]acetyl]piperidin-4-one?
The canonical SMILES for 1-[2-[(2-chlorophenyl)methyl-methylamino]acetyl]piperidin-4-one is CN(CC(=O)N1CCC(=O)CC1)Cc1ccccc1Cl.
What is the InChIKey of 1-[2-[(2-chlorophenyl)methyl-methylamino]acetyl]piperidin-4-one?
The InChIKey is CGXRIVXBYDOLGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN2O2/c1-17(10-12-4-2-3-5-14(12)16)11-15(20)18-8-6-13(19)7-9-18/h2-5H,6-11H2,1H3.
What are the key properties of 1-[2-[(2-chlorophenyl)methyl-methylamino]acetyl]piperidin-4-one?
1-[2-[(2-chlorophenyl)methyl-methylamino]acetyl]piperidin-4-one has a molecular weight of 294.78 g/mol, XLogP of 1.96, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(2-chlorophenyl)methyl-methylamino]acetyl]piperidin-4-one is sourced from PubChem (CID 60692160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).