(1R,5R)-3-acetamido-N-cyclohexyl-9-azabicyclo[3.3.1]nonane-9-carboxamide

C17H29N3O2 — CID 1467257

IUPAC(1R,5R)-3-acetamido-N-cyclohexyl-9-azabicyclo[3.3.1]nonane-9-carboxamide
SMILESCC(=O)NC1C[C@H]2CCC[C@H](C1)N2C(=O)NC1CCCCC1
InChIInChI=1S/C17H29N3O2/c1-12(21)18-14-10-15-8-5-9-16(11-14)20(15)17(22)19-13-6-3-2-4-7-13/h13-16H,2-11H2,1H3,(H,18,21)(H,19,22)/t15-,16-/m1/s1
InChIKeyBINQLUCYQMQNEI-HZPDHXFCSA-N
MW307.44 g/mol
LogP2.55
Rot. Bonds2

About (1R,5R)-3-acetamido-N-cyclohexyl-9-azabicyclo[3.3.1]nonane-9-carboxamide

(1R,5R)-3-acetamido-N-cyclohexyl-9-azabicyclo[3.3.1]nonane-9-carboxamide (PubChem CID 1467257) has the molecular formula C17H29N3O2 and a molecular weight of 307.44 g/mol. Its IUPAC name is (1R,5R)-3-acetamido-N-cyclohexyl-9-azabicyclo[3.3.1]nonane-9-carboxamide.

Molecular Properties

Compound Name(1R,5R)-3-acetamido-N-cyclohexyl-9-azabicyclo[3.3.1]nonane-9-carboxamide
PubChem CID1467257
Molecular FormulaC17H29N3O2
Molecular Weight307.44 g/mol
Exact Mass307.23
IUPAC Name(1R,5R)-3-acetamido-N-cyclohexyl-9-azabicyclo[3.3.1]nonane-9-carboxamide
SMILESCC(=O)NC1C[C@H]2CCC[C@H](C1)N2C(=O)NC1CCCCC1
InChIInChI=1S/C17H29N3O2/c1-12(21)18-14-10-15-8-5-9-16(11-14)20(15)17(22)19-13-6-3-2-4-7-13/h13-16H,2-11H2,1H3,(H,18,21)(H,19,22)/t15-,16-/m1/s1
InChIKeyBINQLUCYQMQNEI-HZPDHXFCSA-N
XLogP2.55
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.44
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(1S,5R)-N-cyclohexyl-3-(cyclopropanecarbonylamino)-9-azabicyclo[3.3.1]nonane-9-carboxamide
CID 1467268
3-amino-N-cyclohexyl-8-azabicyclo[3.2.1]octane-8-carboxamide
CID 61235917
(1S,5R)-N-cyclohexyl-3-[(4-fluorobenzoyl)amino]-9-azabicyclo[3.3.1]nonane-9-carboxamide
CID 1467265
(1S,5S)-N-cyclohexyl-3-[(4-fluorobenzoyl)amino]-9-azabicyclo[3.3.1]nonane-9-carboxamide
CID 1467264
4-acetamido-N-cyclopentylpiperidine-1-carboxamide
CID 49468459
3-acetamido-N-(4-fluorophenyl)-9-azabicyclo[3.3.1]nonane-9-carboxamide
CID 3218280
N-(4-cyclooctylcycloheptyl)acetamide
CID 170008813
(1R,5S)-3-acetamido-N-(4-methoxyphenyl)-9-azabicyclo[3.3.1]nonane-9-carboxamide
CID 7403546
N-cyclopentyl-3-[(4-fluorobenzoyl)amino]-8-azabicyclo[3.2.1]octane-8-carboxamide
CID 156610411
1-cyclohexyl-3-[(1S,5S)-8-(cyclohexylcarbamothioyl)-8-azabicyclo[3.2.1]octan-3-yl]urea
CID 98111296
(1R,5R)-3-acetamido-N-(3-methoxyphenyl)-9-azabicyclo[3.3.1]nonane-9-carboxamide
CID 98110447
N-(6-oxocyclododecyl)acetamide
CID 117071051

Frequently Asked Questions

What is the IUPAC name of (1R,5R)-3-acetamido-N-cyclohexyl-9-azabicyclo[3.3.1]nonane-9-carboxamide?
The IUPAC name of (1R,5R)-3-acetamido-N-cyclohexyl-9-azabicyclo[3.3.1]nonane-9-carboxamide (CID 1467257) is (1R,5R)-3-acetamido-N-cyclohexyl-9-azabicyclo[3.3.1]nonane-9-carboxamide.
What is the SMILES notation for (1R,5R)-3-acetamido-N-cyclohexyl-9-azabicyclo[3.3.1]nonane-9-carboxamide?
The canonical SMILES for (1R,5R)-3-acetamido-N-cyclohexyl-9-azabicyclo[3.3.1]nonane-9-carboxamide is CC(=O)NC1C[C@H]2CCC[C@H](C1)N2C(=O)NC1CCCCC1.
What is the InChIKey of (1R,5R)-3-acetamido-N-cyclohexyl-9-azabicyclo[3.3.1]nonane-9-carboxamide?
The InChIKey is BINQLUCYQMQNEI-HZPDHXFCSA-N. The full InChI is InChI=1S/C17H29N3O2/c1-12(21)18-14-10-15-8-5-9-16(11-14)20(15)17(22)19-13-6-3-2-4-7-13/h13-16H,2-11H2,1H3,(H,18,21)(H,19,22)/t15-,16-/m1/s1.
What are the key properties of (1R,5R)-3-acetamido-N-cyclohexyl-9-azabicyclo[3.3.1]nonane-9-carboxamide?
(1R,5R)-3-acetamido-N-cyclohexyl-9-azabicyclo[3.3.1]nonane-9-carboxamide has a molecular weight of 307.44 g/mol, XLogP of 2.55, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,5R)-3-acetamido-N-cyclohexyl-9-azabicyclo[3.3.1]nonane-9-carboxamide is sourced from PubChem (CID 1467257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).