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

C19H31N3O2 — CID 1467268

IUPAC(1S,5R)-N-cyclohexyl-3-(cyclopropanecarbonylamino)-9-azabicyclo[3.3.1]nonane-9-carboxamide
SMILESO=C(NC1C[C@H]2CCC[C@@H](C1)N2C(=O)NC1CCCCC1)C1CC1
InChIInChI=1S/C19H31N3O2/c23-18(13-9-10-13)20-15-11-16-7-4-8-17(12-15)22(16)19(24)21-14-5-2-1-3-6-14/h13-17H,1-12H2,(H,20,23)(H,21,24)/t15?,16-,17+
InChIKeyNFJWYIULPQFKNV-ALOPSCKCSA-N
MW333.48 g/mol
LogP2.94
Rot. Bonds3

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

(1S,5R)-N-cyclohexyl-3-(cyclopropanecarbonylamino)-9-azabicyclo[3.3.1]nonane-9-carboxamide (PubChem CID 1467268) has the molecular formula C19H31N3O2 and a molecular weight of 333.48 g/mol. Its IUPAC name is (1S,5R)-N-cyclohexyl-3-(cyclopropanecarbonylamino)-9-azabicyclo[3.3.1]nonane-9-carboxamide.

Molecular Properties

Compound Name(1S,5R)-N-cyclohexyl-3-(cyclopropanecarbonylamino)-9-azabicyclo[3.3.1]nonane-9-carboxamide
PubChem CID1467268
Molecular FormulaC19H31N3O2
Molecular Weight333.48 g/mol
Exact Mass333.24
IUPAC Name(1S,5R)-N-cyclohexyl-3-(cyclopropanecarbonylamino)-9-azabicyclo[3.3.1]nonane-9-carboxamide
SMILESO=C(NC1C[C@H]2CCC[C@@H](C1)N2C(=O)NC1CCCCC1)C1CC1
InChIInChI=1S/C19H31N3O2/c23-18(13-9-10-13)20-15-11-16-7-4-8-17(12-15)22(16)19(24)21-14-5-2-1-3-6-14/h13-17H,1-12H2,(H,20,23)(H,21,24)/t15?,16-,17+
InChIKeyNFJWYIULPQFKNV-ALOPSCKCSA-N
XLogP2.94
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.48
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (1S,5R)-N-cyclohexyl-3-(cyclopropanecarbonylamino)-9-azabicyclo[3.3.1]nonane-9-carboxamide with MolForge

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Related Compounds

(1R,5R)-3-acetamido-N-cyclohexyl-9-azabicyclo[3.3.1]nonane-9-carboxamide
CID 1467257
1-N,4-N-dicyclohexylcyclohexane-1,4-dicarboxamide
CID 2982201
N-[(1S,5S)-9-(methylcarbamothioyl)-9-azabicyclo[3.3.1]nonan-3-yl]cyclopropanecarboxamide
CID 7403615
3-amino-N-cyclohexyl-8-azabicyclo[3.2.1]octane-8-carboxamide
CID 61235917
N-cycloheptylcycloheptanecarboxamide
CID 129091005
N-cyclopentylcyclobutanecarboxamide
CID 21158774
N-cyclodecylcyclododecanecarboxamide
CID 135182352
(1S,5R)-N-cyclohexyl-3-[(4-fluorobenzoyl)amino]-9-azabicyclo[3.3.1]nonane-9-carboxamide
CID 1467265
(1R,5R)-3-(cyclopropanecarbonylamino)-N-(4-methylphenyl)-9-azabicyclo[3.3.1]nonane-9-carboxamide
CID 98110437
(1S,5S)-N-cyclohexyl-3-[(4-fluorobenzoyl)amino]-9-azabicyclo[3.3.1]nonane-9-carboxamide
CID 1467264
(1S,5S)-N-(2-chlorophenyl)-3-(cyclopropanecarbonylamino)-9-azabicyclo[3.3.1]nonane-9-carboxamide
CID 7403597
(1S,5S)-3-(cyclopropanecarbonylamino)-N-(2-methylphenyl)-9-azabicyclo[3.3.1]nonane-9-carboxamide
CID 7229967

Frequently Asked Questions

What is the IUPAC name of (1S,5R)-N-cyclohexyl-3-(cyclopropanecarbonylamino)-9-azabicyclo[3.3.1]nonane-9-carboxamide?
The IUPAC name of (1S,5R)-N-cyclohexyl-3-(cyclopropanecarbonylamino)-9-azabicyclo[3.3.1]nonane-9-carboxamide (CID 1467268) is (1S,5R)-N-cyclohexyl-3-(cyclopropanecarbonylamino)-9-azabicyclo[3.3.1]nonane-9-carboxamide.
What is the SMILES notation for (1S,5R)-N-cyclohexyl-3-(cyclopropanecarbonylamino)-9-azabicyclo[3.3.1]nonane-9-carboxamide?
The canonical SMILES for (1S,5R)-N-cyclohexyl-3-(cyclopropanecarbonylamino)-9-azabicyclo[3.3.1]nonane-9-carboxamide is O=C(NC1C[C@H]2CCC[C@@H](C1)N2C(=O)NC1CCCCC1)C1CC1.
What is the InChIKey of (1S,5R)-N-cyclohexyl-3-(cyclopropanecarbonylamino)-9-azabicyclo[3.3.1]nonane-9-carboxamide?
The InChIKey is NFJWYIULPQFKNV-ALOPSCKCSA-N. The full InChI is InChI=1S/C19H31N3O2/c23-18(13-9-10-13)20-15-11-16-7-4-8-17(12-15)22(16)19(24)21-14-5-2-1-3-6-14/h13-17H,1-12H2,(H,20,23)(H,21,24)/t15?,16-,17+.
What are the key properties of (1S,5R)-N-cyclohexyl-3-(cyclopropanecarbonylamino)-9-azabicyclo[3.3.1]nonane-9-carboxamide?
(1S,5R)-N-cyclohexyl-3-(cyclopropanecarbonylamino)-9-azabicyclo[3.3.1]nonane-9-carboxamide has a molecular weight of 333.48 g/mol, XLogP of 2.94, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,5R)-N-cyclohexyl-3-(cyclopropanecarbonylamino)-9-azabicyclo[3.3.1]nonane-9-carboxamide is sourced from PubChem (CID 1467268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).