2-cyclohexyl-N-[1-(2-methylpiperazin-1-yl)-1-oxopropan-2-yl]acetamide;hydrochloride

C16H30ClN3O2 — CID 119473107

IUPAC2-cyclohexyl-N-[1-(2-methylpiperazin-1-yl)-1-oxopropan-2-yl]acetamide;hydrochloride
SMILESCC(NC(=O)CC1CCCCC1)C(=O)N1CCNCC1C.Cl
InChIInChI=1S/C16H29N3O2.ClH/c1-12-11-17-8-9-19(12)16(21)13(2)18-15(20)10-14-6-4-3-5-7-14;/h12-14,17H,3-11H2,1-2H3,(H,18,20);1H
InChIKeyPBPBPADFYNZCFW-UHFFFAOYSA-N
MW331.89 g/mol
LogP1.70
Rot. Bonds4

About 2-cyclohexyl-N-[1-(2-methylpiperazin-1-yl)-1-oxopropan-2-yl]acetamide;hydrochloride

2-cyclohexyl-N-[1-(2-methylpiperazin-1-yl)-1-oxopropan-2-yl]acetamide;hydrochloride (PubChem CID 119473107) has the molecular formula C16H30ClN3O2 and a molecular weight of 331.89 g/mol. Its IUPAC name is 2-cyclohexyl-N-[1-(2-methylpiperazin-1-yl)-1-oxopropan-2-yl]acetamide;hydrochloride.

Molecular Properties

Compound Name2-cyclohexyl-N-[1-(2-methylpiperazin-1-yl)-1-oxopropan-2-yl]acetamide;hydrochloride
PubChem CID119473107
Molecular FormulaC16H30ClN3O2
Molecular Weight331.89 g/mol
Exact Mass331.20
IUPAC Name2-cyclohexyl-N-[1-(2-methylpiperazin-1-yl)-1-oxopropan-2-yl]acetamide;hydrochloride
SMILESCC(NC(=O)CC1CCCCC1)C(=O)N1CCNCC1C.Cl
InChIInChI=1S/C16H29N3O2.ClH/c1-12-11-17-8-9-19(12)16(21)13(2)18-15(20)10-14-6-4-3-5-7-14;/h12-14,17H,3-11H2,1-2H3,(H,18,20);1H
InChIKeyPBPBPADFYNZCFW-UHFFFAOYSA-N
XLogP1.70
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.89
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyclohexyl-N-[1-(1,4-diazepan-1-yl)-1-oxopropan-2-yl]acetamide;hydrochloride
CID 119418106
1-[2-[(2-cyclohexylacetyl)amino]propanoyl]piperidine-2-carboxylic acid
CID 119175764
N-[1-[2-(aminomethyl)pyrrolidin-1-yl]-1-oxopropan-2-yl]-2-cyclohexylacetamide;hydrochloride
CID 119634129
2-(2,5-dimethylpyrrolidin-1-yl)-1-(2-methylpiperazin-1-yl)propan-1-one
CID 62672063
(2S)-2-[(2-cyclohexylacetyl)amino]propanoic acid
CID 51604978
2-cycloheptyloxy-1-(2-methylpiperazin-1-yl)propan-1-one;hydrochloride
CID 119472718
2-[(2-cyclohexylacetyl)amino]-N-methyl-N-pyrrolidin-3-ylpropanamide;hydrochloride
CID 119554088
(2S)-2-methyl-N-propan-2-ylpiperazine-1-carboxamide
CID 82756259
2-cyclohexyl-N-[1-[4-(ethylaminomethyl)piperidin-1-yl]-1-oxopropan-2-yl]acetamide;hydrochloride
CID 119647793
2-[(2-cyclohexylacetyl)amino]-N-(2-methylpiperidin-4-yl)propanamide;hydrochloride
CID 120601875
3-cyclohexyl-1-(2-methylpiperazin-1-yl)propan-1-one
CID 62672939
2-cycloheptyl-N-(1-piperidin-3-ylethyl)acetamide
CID 115736930

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-N-[1-(2-methylpiperazin-1-yl)-1-oxopropan-2-yl]acetamide;hydrochloride?
The IUPAC name of 2-cyclohexyl-N-[1-(2-methylpiperazin-1-yl)-1-oxopropan-2-yl]acetamide;hydrochloride (CID 119473107) is 2-cyclohexyl-N-[1-(2-methylpiperazin-1-yl)-1-oxopropan-2-yl]acetamide;hydrochloride.
What is the SMILES notation for 2-cyclohexyl-N-[1-(2-methylpiperazin-1-yl)-1-oxopropan-2-yl]acetamide;hydrochloride?
The canonical SMILES for 2-cyclohexyl-N-[1-(2-methylpiperazin-1-yl)-1-oxopropan-2-yl]acetamide;hydrochloride is CC(NC(=O)CC1CCCCC1)C(=O)N1CCNCC1C.Cl.
What is the InChIKey of 2-cyclohexyl-N-[1-(2-methylpiperazin-1-yl)-1-oxopropan-2-yl]acetamide;hydrochloride?
The InChIKey is PBPBPADFYNZCFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O2.ClH/c1-12-11-17-8-9-19(12)16(21)13(2)18-15(20)10-14-6-4-3-5-7-14;/h12-14,17H,3-11H2,1-2H3,(H,18,20);1H.
What are the key properties of 2-cyclohexyl-N-[1-(2-methylpiperazin-1-yl)-1-oxopropan-2-yl]acetamide;hydrochloride?
2-cyclohexyl-N-[1-(2-methylpiperazin-1-yl)-1-oxopropan-2-yl]acetamide;hydrochloride has a molecular weight of 331.89 g/mol, XLogP of 1.70, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-N-[1-(2-methylpiperazin-1-yl)-1-oxopropan-2-yl]acetamide;hydrochloride is sourced from PubChem (CID 119473107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).