2-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]cyclohexane-1-carboxamide;hydrochloride

C16H28ClN3O2 — CID 119802162

IUPAC2-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]cyclohexane-1-carboxamide;hydrochloride
SMILESCl.NC(=O)C1CCCCC1NC(=O)CC1CC2CCC(C1)N2
InChIInChI=1S/C16H27N3O2.ClH/c17-16(21)13-3-1-2-4-14(13)19-15(20)9-10-7-11-5-6-12(8-10)18-11;/h10-14,18H,1-9H2,(H2,17,21)(H,19,20);1H
InChIKeyLPLCCMZMJHLXOT-UHFFFAOYSA-N
MW329.87 g/mol
LogP1.49
Rot. Bonds4

About 2-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]cyclohexane-1-carboxamide;hydrochloride

2-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]cyclohexane-1-carboxamide;hydrochloride (PubChem CID 119802162) has the molecular formula C16H28ClN3O2 and a molecular weight of 329.87 g/mol. Its IUPAC name is 2-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]cyclohexane-1-carboxamide;hydrochloride.

Molecular Properties

Compound Name2-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]cyclohexane-1-carboxamide;hydrochloride
PubChem CID119802162
Molecular FormulaC16H28ClN3O2
Molecular Weight329.87 g/mol
Exact Mass329.19
IUPAC Name2-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]cyclohexane-1-carboxamide;hydrochloride
SMILESCl.NC(=O)C1CCCCC1NC(=O)CC1CC2CCC(C1)N2
InChIInChI=1S/C16H27N3O2.ClH/c17-16(21)13-3-1-2-4-14(13)19-15(20)9-10-7-11-5-6-12(8-10)18-11;/h10-14,18H,1-9H2,(H2,17,21)(H,19,20);1H
InChIKeyLPLCCMZMJHLXOT-UHFFFAOYSA-N
XLogP1.49
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.87
LogP ≤ 51.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 2-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]cyclohexane-1-carboxamide;hydrochloride with MolForge

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Related Compounds

2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(2-hydroxycyclohexyl)acetamide
CID 79615606
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-cycloheptylacetamide
CID 79607418
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(2-methylsulfanylcyclopentyl)acetamide
CID 103811825
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(2-ethylsulfanylcyclopentyl)acetamide
CID 103812899
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(2-methoxycyclopentyl)acetamide
CID 79614744
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(3-tricyclo[3.2.1.02,4]octanyl)acetamide
CID 103813116
2-[(2-methylsulfonylacetyl)amino]cyclohexane-1-carboxamide
CID 175700374
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(2,2,3,3-tetramethylcyclopropyl)acetamide;hydrochloride
CID 119819142
2-(4-aminobutanoylamino)cyclohexane-1-carboxamide
CID 119334193
3-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]propanamide
CID 79607251
2-cyclopropyl-N-[2-(N'-hydroxycarbamimidoyl)cyclopentyl]acetamide
CID 76978603
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(1,1-dioxothian-3-yl)acetamide;hydrochloride
CID 119784481

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]cyclohexane-1-carboxamide;hydrochloride?
The IUPAC name of 2-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]cyclohexane-1-carboxamide;hydrochloride (CID 119802162) is 2-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]cyclohexane-1-carboxamide;hydrochloride.
What is the SMILES notation for 2-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]cyclohexane-1-carboxamide;hydrochloride?
The canonical SMILES for 2-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]cyclohexane-1-carboxamide;hydrochloride is Cl.NC(=O)C1CCCCC1NC(=O)CC1CC2CCC(C1)N2.
What is the InChIKey of 2-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]cyclohexane-1-carboxamide;hydrochloride?
The InChIKey is LPLCCMZMJHLXOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O2.ClH/c17-16(21)13-3-1-2-4-14(13)19-15(20)9-10-7-11-5-6-12(8-10)18-11;/h10-14,18H,1-9H2,(H2,17,21)(H,19,20);1H.
What are the key properties of 2-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]cyclohexane-1-carboxamide;hydrochloride?
2-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]cyclohexane-1-carboxamide;hydrochloride has a molecular weight of 329.87 g/mol, XLogP of 1.49, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]cyclohexane-1-carboxamide;hydrochloride is sourced from PubChem (CID 119802162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).