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

C16H27N3O2 — CID 119735695

IUPAC1-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]cyclohexane-1-carboxamide
SMILESNC(=O)C1(NC(=O)CC2CC3CCC(C2)N3)CCCCC1
InChIInChI=1S/C16H27N3O2/c17-15(21)16(6-2-1-3-7-16)19-14(20)10-11-8-12-4-5-13(9-11)18-12/h11-13,18H,1-10H2,(H2,17,21)(H,19,20)
InChIKeyPLZWYERUTUFVNY-UHFFFAOYSA-N
MW293.41 g/mol
LogP1.21
Rot. Bonds4

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

1-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]cyclohexane-1-carboxamide (PubChem CID 119735695) has the molecular formula C16H27N3O2 and a molecular weight of 293.41 g/mol. Its IUPAC name is 1-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]cyclohexane-1-carboxamide
PubChem CID119735695
Molecular FormulaC16H27N3O2
Molecular Weight293.41 g/mol
Exact Mass293.21
IUPAC Name1-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]cyclohexane-1-carboxamide
SMILESNC(=O)C1(NC(=O)CC2CC3CCC(C2)N3)CCCCC1
InChIInChI=1S/C16H27N3O2/c17-15(21)16(6-2-1-3-7-16)19-14(20)10-11-8-12-4-5-13(9-11)18-12/h11-13,18H,1-10H2,(H2,17,21)(H,19,20)
InChIKeyPLZWYERUTUFVNY-UHFFFAOYSA-N
XLogP1.21
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 51.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]cyclohexane-1-carboxamide?
The IUPAC name of 1-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]cyclohexane-1-carboxamide (CID 119735695) is 1-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]cyclohexane-1-carboxamide.
What is the SMILES notation for 1-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]cyclohexane-1-carboxamide?
The canonical SMILES for 1-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]cyclohexane-1-carboxamide is NC(=O)C1(NC(=O)CC2CC3CCC(C2)N3)CCCCC1.
What is the InChIKey of 1-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]cyclohexane-1-carboxamide?
The InChIKey is PLZWYERUTUFVNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O2/c17-15(21)16(6-2-1-3-7-16)19-14(20)10-11-8-12-4-5-13(9-11)18-12/h11-13,18H,1-10H2,(H2,17,21)(H,19,20).
What are the key properties of 1-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]cyclohexane-1-carboxamide?
1-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]cyclohexane-1-carboxamide has a molecular weight of 293.41 g/mol, XLogP of 1.21, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]cyclohexane-1-carboxamide is sourced from PubChem (CID 119735695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).