N-cyclohexyl-N-ethyl-2-[3-(methylaminomethyl)piperidin-1-yl]acetamide;hydrochloride

C17H34ClN3O — CID 119914794

IUPACN-cyclohexyl-N-ethyl-2-[3-(methylaminomethyl)piperidin-1-yl]acetamide;hydrochloride
SMILESCCN(C(=O)CN1CCCC(CNC)C1)C1CCCCC1.Cl
InChIInChI=1S/C17H33N3O.ClH/c1-3-20(16-9-5-4-6-10-16)17(21)14-19-11-7-8-15(13-19)12-18-2;/h15-16,18H,3-14H2,1-2H3;1H
InChIKeyQCGWJQPFCWEXTR-UHFFFAOYSA-N
MW331.93 g/mol
LogP2.52
Rot. Bonds6

About N-cyclohexyl-N-ethyl-2-[3-(methylaminomethyl)piperidin-1-yl]acetamide;hydrochloride

N-cyclohexyl-N-ethyl-2-[3-(methylaminomethyl)piperidin-1-yl]acetamide;hydrochloride (PubChem CID 119914794) has the molecular formula C17H34ClN3O and a molecular weight of 331.93 g/mol. Its IUPAC name is N-cyclohexyl-N-ethyl-2-[3-(methylaminomethyl)piperidin-1-yl]acetamide;hydrochloride.

Molecular Properties

Compound NameN-cyclohexyl-N-ethyl-2-[3-(methylaminomethyl)piperidin-1-yl]acetamide;hydrochloride
PubChem CID119914794
Molecular FormulaC17H34ClN3O
Molecular Weight331.93 g/mol
Exact Mass331.24
IUPAC NameN-cyclohexyl-N-ethyl-2-[3-(methylaminomethyl)piperidin-1-yl]acetamide;hydrochloride
SMILESCCN(C(=O)CN1CCCC(CNC)C1)C1CCCCC1.Cl
InChIInChI=1S/C17H33N3O.ClH/c1-3-20(16-9-5-4-6-10-16)17(21)14-19-11-7-8-15(13-19)12-18-2;/h15-16,18H,3-14H2,1-2H3;1H
InChIKeyQCGWJQPFCWEXTR-UHFFFAOYSA-N
XLogP2.52
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.93
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-(aminomethyl)piperidin-1-yl]-N-cyclopropyl-N-ethylacetamide
CID 61488497
2-(3-aminopyrrolidin-1-yl)-N-cyclohexyl-N-ethylacetamide;hydrochloride
CID 119917689
N-cyclohexyl-N-ethyl-2-[4-(ethylaminomethyl)piperidin-1-yl]acetamide
CID 119928234
2-[3-(methylaminomethyl)piperidin-1-yl]-1-piperidin-1-ylethanone
CID 61205358
N-cyclopentyl-N-cyclopropyl-2-(3-ethylpiperidin-1-yl)acetamide
CID 78897689
N-cyclohexyl-2-(1,4-diazepan-1-yl)-N-ethylacetamide;hydrochloride
CID 119906882
N-cyclopropyl-N-ethyl-2-[2-(methylaminomethyl)piperidin-1-yl]acetamide
CID 63250442
2-[3-(methylaminomethyl)piperidin-1-yl]-N-(methylcarbamoyl)acetamide;hydrochloride
CID 119914462
N-(cyclopenten-1-yl)-N-ethyl-2-[3-(methylaminomethyl)piperidin-1-yl]acetamide
CID 78967888
2-[3-[(tert-butylamino)methyl]piperidin-1-yl]-N-ethyl-N-methylacetamide
CID 63848310
N-cyclohexyl-N-ethyl-2-[4-(2-hydroxyethyl)piperazin-1-yl]acetamide
CID 60689929
1-[2-[3-(methylaminomethyl)piperidin-1-yl]acetyl]pyrrolidin-2-one
CID 61204984

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-N-ethyl-2-[3-(methylaminomethyl)piperidin-1-yl]acetamide;hydrochloride?
The IUPAC name of N-cyclohexyl-N-ethyl-2-[3-(methylaminomethyl)piperidin-1-yl]acetamide;hydrochloride (CID 119914794) is N-cyclohexyl-N-ethyl-2-[3-(methylaminomethyl)piperidin-1-yl]acetamide;hydrochloride.
What is the SMILES notation for N-cyclohexyl-N-ethyl-2-[3-(methylaminomethyl)piperidin-1-yl]acetamide;hydrochloride?
The canonical SMILES for N-cyclohexyl-N-ethyl-2-[3-(methylaminomethyl)piperidin-1-yl]acetamide;hydrochloride is CCN(C(=O)CN1CCCC(CNC)C1)C1CCCCC1.Cl.
What is the InChIKey of N-cyclohexyl-N-ethyl-2-[3-(methylaminomethyl)piperidin-1-yl]acetamide;hydrochloride?
The InChIKey is QCGWJQPFCWEXTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33N3O.ClH/c1-3-20(16-9-5-4-6-10-16)17(21)14-19-11-7-8-15(13-19)12-18-2;/h15-16,18H,3-14H2,1-2H3;1H.
What are the key properties of N-cyclohexyl-N-ethyl-2-[3-(methylaminomethyl)piperidin-1-yl]acetamide;hydrochloride?
N-cyclohexyl-N-ethyl-2-[3-(methylaminomethyl)piperidin-1-yl]acetamide;hydrochloride has a molecular weight of 331.93 g/mol, XLogP of 2.52, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-N-ethyl-2-[3-(methylaminomethyl)piperidin-1-yl]acetamide;hydrochloride is sourced from PubChem (CID 119914794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).