2-cyclohexyl-N-[1-[4-(ethylaminomethyl)piperidin-1-yl]-1-oxopropan-2-yl]acetamide;hydrochloride

C19H36ClN3O2 — CID 119647793

IUPAC2-cyclohexyl-N-[1-[4-(ethylaminomethyl)piperidin-1-yl]-1-oxopropan-2-yl]acetamide;hydrochloride
SMILESCCNCC1CCN(C(=O)C(C)NC(=O)CC2CCCCC2)CC1.Cl
InChIInChI=1S/C19H35N3O2.ClH/c1-3-20-14-17-9-11-22(12-10-17)19(24)15(2)21-18(23)13-16-7-5-4-6-8-16;/h15-17,20H,3-14H2,1-2H3,(H,21,23);1H
InChIKeyQYMADOIAAVEPKL-UHFFFAOYSA-N
MW373.97 g/mol
LogP2.73
Rot. Bonds7

About 2-cyclohexyl-N-[1-[4-(ethylaminomethyl)piperidin-1-yl]-1-oxopropan-2-yl]acetamide;hydrochloride

2-cyclohexyl-N-[1-[4-(ethylaminomethyl)piperidin-1-yl]-1-oxopropan-2-yl]acetamide;hydrochloride (PubChem CID 119647793) has the molecular formula C19H36ClN3O2 and a molecular weight of 373.97 g/mol. Its IUPAC name is 2-cyclohexyl-N-[1-[4-(ethylaminomethyl)piperidin-1-yl]-1-oxopropan-2-yl]acetamide;hydrochloride.

Molecular Properties

Compound Name2-cyclohexyl-N-[1-[4-(ethylaminomethyl)piperidin-1-yl]-1-oxopropan-2-yl]acetamide;hydrochloride
PubChem CID119647793
Molecular FormulaC19H36ClN3O2
Molecular Weight373.97 g/mol
Exact Mass373.25
IUPAC Name2-cyclohexyl-N-[1-[4-(ethylaminomethyl)piperidin-1-yl]-1-oxopropan-2-yl]acetamide;hydrochloride
SMILESCCNCC1CCN(C(=O)C(C)NC(=O)CC2CCCCC2)CC1.Cl
InChIInChI=1S/C19H35N3O2.ClH/c1-3-20-14-17-9-11-22(12-10-17)19(24)15(2)21-18(23)13-16-7-5-4-6-8-16;/h15-17,20H,3-14H2,1-2H3,(H,21,23);1H
InChIKeyQYMADOIAAVEPKL-UHFFFAOYSA-N
XLogP2.73
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.97
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyclopentyl-N-[(2R)-1-oxo-1-(4-piperidin-1-ylpiperidin-1-yl)propan-2-yl]acetamide
CID 95153781
2-cyclohexyl-N-[1-(1,4-diazepan-1-yl)-1-oxopropan-2-yl]acetamide;hydrochloride
CID 119418106
N-[1-[4-(3-aminopropoxy)piperidin-1-yl]-1-oxopropan-2-yl]-2-cyclohexylacetamide;hydrochloride
CID 119664253
2-cyclohexyl-N-[(2S)-1-[4-hydroxy-4-(methoxymethyl)piperidin-1-yl]-1-oxopropan-2-yl]acetamide
CID 164631551
2-cyclohexyl-N-[2-[4-(ethylaminomethyl)piperidin-1-yl]-2-oxoethyl]acetamide
CID 119645034
2-(cyclopentylmethyl)-1-[4-(ethylaminomethyl)piperidin-1-yl]butan-1-one
CID 119644529
N-[1-[2-(aminomethyl)pyrrolidin-1-yl]-1-oxopropan-2-yl]-2-cyclohexylacetamide;hydrochloride
CID 119634129
4-chloro-N-[1-[4-(ethylaminomethyl)piperidin-1-yl]-1-oxopropan-2-yl]benzamide
CID 119647961
(2S)-2-[(2-cyclohexylacetyl)amino]propanoic acid
CID 51604978
2-ethoxy-1-[4-(ethylaminomethyl)piperidin-1-yl]propan-1-one
CID 119647696
N-[1-[4-(ethylaminomethyl)piperidin-1-yl]-3-methyl-1-oxobutan-2-yl]-3-methylbutanamide
CID 119648156
1-[2-[(2-cyclohexylacetyl)amino]propanoyl]piperidine-2-carboxylic acid
CID 119175764

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-N-[1-[4-(ethylaminomethyl)piperidin-1-yl]-1-oxopropan-2-yl]acetamide;hydrochloride?
The IUPAC name of 2-cyclohexyl-N-[1-[4-(ethylaminomethyl)piperidin-1-yl]-1-oxopropan-2-yl]acetamide;hydrochloride (CID 119647793) is 2-cyclohexyl-N-[1-[4-(ethylaminomethyl)piperidin-1-yl]-1-oxopropan-2-yl]acetamide;hydrochloride.
What is the SMILES notation for 2-cyclohexyl-N-[1-[4-(ethylaminomethyl)piperidin-1-yl]-1-oxopropan-2-yl]acetamide;hydrochloride?
The canonical SMILES for 2-cyclohexyl-N-[1-[4-(ethylaminomethyl)piperidin-1-yl]-1-oxopropan-2-yl]acetamide;hydrochloride is CCNCC1CCN(C(=O)C(C)NC(=O)CC2CCCCC2)CC1.Cl.
What is the InChIKey of 2-cyclohexyl-N-[1-[4-(ethylaminomethyl)piperidin-1-yl]-1-oxopropan-2-yl]acetamide;hydrochloride?
The InChIKey is QYMADOIAAVEPKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H35N3O2.ClH/c1-3-20-14-17-9-11-22(12-10-17)19(24)15(2)21-18(23)13-16-7-5-4-6-8-16;/h15-17,20H,3-14H2,1-2H3,(H,21,23);1H.
What are the key properties of 2-cyclohexyl-N-[1-[4-(ethylaminomethyl)piperidin-1-yl]-1-oxopropan-2-yl]acetamide;hydrochloride?
2-cyclohexyl-N-[1-[4-(ethylaminomethyl)piperidin-1-yl]-1-oxopropan-2-yl]acetamide;hydrochloride has a molecular weight of 373.97 g/mol, XLogP of 2.73, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-N-[1-[4-(ethylaminomethyl)piperidin-1-yl]-1-oxopropan-2-yl]acetamide;hydrochloride is sourced from PubChem (CID 119647793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).