1-[2-[4-(methylaminomethyl)piperidin-1-yl]-2-oxoethyl]azepan-2-one;hydrochloride

C15H28ClN3O2 — CID 119544452

IUPAC1-[2-[4-(methylaminomethyl)piperidin-1-yl]-2-oxoethyl]azepan-2-one;hydrochloride
SMILESCNCC1CCN(C(=O)CN2CCCCCC2=O)CC1.Cl
InChIInChI=1S/C15H27N3O2.ClH/c1-16-11-13-6-9-17(10-7-13)15(20)12-18-8-4-2-3-5-14(18)19;/h13,16H,2-12H2,1H3;1H
InChIKeyOIGHASRNAOWFQP-UHFFFAOYSA-N
MW317.86 g/mol
LogP1.27
Rot. Bonds4

About 1-[2-[4-(methylaminomethyl)piperidin-1-yl]-2-oxoethyl]azepan-2-one;hydrochloride

1-[2-[4-(methylaminomethyl)piperidin-1-yl]-2-oxoethyl]azepan-2-one;hydrochloride (PubChem CID 119544452) has the molecular formula C15H28ClN3O2 and a molecular weight of 317.86 g/mol. Its IUPAC name is 1-[2-[4-(methylaminomethyl)piperidin-1-yl]-2-oxoethyl]azepan-2-one;hydrochloride.

Molecular Properties

Compound Name1-[2-[4-(methylaminomethyl)piperidin-1-yl]-2-oxoethyl]azepan-2-one;hydrochloride
PubChem CID119544452
Molecular FormulaC15H28ClN3O2
Molecular Weight317.86 g/mol
Exact Mass317.19
IUPAC Name1-[2-[4-(methylaminomethyl)piperidin-1-yl]-2-oxoethyl]azepan-2-one;hydrochloride
SMILESCNCC1CCN(C(=O)CN2CCCCCC2=O)CC1.Cl
InChIInChI=1S/C15H27N3O2.ClH/c1-16-11-13-6-9-17(10-7-13)15(20)12-18-8-4-2-3-5-14(18)19;/h13,16H,2-12H2,1H3;1H
InChIKeyOIGHASRNAOWFQP-UHFFFAOYSA-N
XLogP1.27
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.86
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-[3-(methylaminomethyl)pyrrolidin-1-yl]-2-oxoethyl]pyrrolidin-2-one
CID 63263320
1-[2-[4-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]azepan-2-one
CID 54878752
1-[2-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-oxoethyl]pyrrolidin-2-one;hydrochloride
CID 119622567
1-[2-[2-(methylaminomethyl)pyrrolidin-1-yl]-2-oxoethyl]piperidin-2-one;hydrochloride
CID 119651125
ethyl 1-[2-(2-oxopiperidin-1-yl)acetyl]piperidine-4-carboxylate
CID 86982347
methyl 1-[2-(2-oxopyrrolidin-1-yl)acetyl]pyrrolidine-3-carboxylate
CID 112733697
1-[2-(2-oxopiperidin-1-yl)acetyl]piperidine-4-carbohydrazide
CID 63578835
methyl (3S,4R)-3-methyl-1-[2-(2-oxoazocan-1-yl)acetyl]piperidine-4-carboxylate
CID 124619916
1-[2-oxo-2-(4-oxopiperidin-1-yl)ethyl]piperidin-2-one
CID 62024110
1-[2-(2-oxopyrrolidin-1-yl)acetyl]piperidine-4-carboxamide
CID 110689906
1-[2-(2-oxoazepan-1-yl)acetyl]-N-phenylpiperidine-4-carboxamide
CID 55408311
1-[2-[2-(methylaminomethyl)piperidin-1-yl]-2-oxoethyl]pyrrolidin-2-one
CID 63249417

Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-(methylaminomethyl)piperidin-1-yl]-2-oxoethyl]azepan-2-one;hydrochloride?
The IUPAC name of 1-[2-[4-(methylaminomethyl)piperidin-1-yl]-2-oxoethyl]azepan-2-one;hydrochloride (CID 119544452) is 1-[2-[4-(methylaminomethyl)piperidin-1-yl]-2-oxoethyl]azepan-2-one;hydrochloride.
What is the SMILES notation for 1-[2-[4-(methylaminomethyl)piperidin-1-yl]-2-oxoethyl]azepan-2-one;hydrochloride?
The canonical SMILES for 1-[2-[4-(methylaminomethyl)piperidin-1-yl]-2-oxoethyl]azepan-2-one;hydrochloride is CNCC1CCN(C(=O)CN2CCCCCC2=O)CC1.Cl.
What is the InChIKey of 1-[2-[4-(methylaminomethyl)piperidin-1-yl]-2-oxoethyl]azepan-2-one;hydrochloride?
The InChIKey is OIGHASRNAOWFQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O2.ClH/c1-16-11-13-6-9-17(10-7-13)15(20)12-18-8-4-2-3-5-14(18)19;/h13,16H,2-12H2,1H3;1H.
What are the key properties of 1-[2-[4-(methylaminomethyl)piperidin-1-yl]-2-oxoethyl]azepan-2-one;hydrochloride?
1-[2-[4-(methylaminomethyl)piperidin-1-yl]-2-oxoethyl]azepan-2-one;hydrochloride has a molecular weight of 317.86 g/mol, XLogP of 1.27, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-(methylaminomethyl)piperidin-1-yl]-2-oxoethyl]azepan-2-one;hydrochloride is sourced from PubChem (CID 119544452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).