(1S,5S)-3-benzamido-N-(3-methoxyphenyl)-9-azabicyclo[3.3.1]nonane-9-carboxamide

C23H27N3O3 — CID 7403544

IUPAC(1S,5S)-3-benzamido-N-(3-methoxyphenyl)-9-azabicyclo[3.3.1]nonane-9-carboxamide
SMILESCOc1cccc(NC(=O)N2[C@H]3CCC[C@H]2CC(NC(=O)c2ccccc2)C3)c1
InChIInChI=1S/C23H27N3O3/c1-29-21-12-5-9-17(15-21)25-23(28)26-19-10-6-11-20(26)14-18(13-19)24-22(27)16-7-3-2-4-8-16/h2-5,7-9,12,15,18-20H,6,10-11,13-14H2,1H3,(H,24,27)(H,25,28)/t19-,20-/m0/s1
InChIKeyDGKRVEUFONFCKQ-PMACEKPBSA-N
MW393.49 g/mol
LogP4.04
Rot. Bonds4

About (1S,5S)-3-benzamido-N-(3-methoxyphenyl)-9-azabicyclo[3.3.1]nonane-9-carboxamide

(1S,5S)-3-benzamido-N-(3-methoxyphenyl)-9-azabicyclo[3.3.1]nonane-9-carboxamide (PubChem CID 7403544) has the molecular formula C23H27N3O3 and a molecular weight of 393.49 g/mol. Its IUPAC name is (1S,5S)-3-benzamido-N-(3-methoxyphenyl)-9-azabicyclo[3.3.1]nonane-9-carboxamide.

Molecular Properties

Compound Name(1S,5S)-3-benzamido-N-(3-methoxyphenyl)-9-azabicyclo[3.3.1]nonane-9-carboxamide
PubChem CID7403544
Molecular FormulaC23H27N3O3
Molecular Weight393.49 g/mol
Exact Mass393.21
IUPAC Name(1S,5S)-3-benzamido-N-(3-methoxyphenyl)-9-azabicyclo[3.3.1]nonane-9-carboxamide
SMILESCOc1cccc(NC(=O)N2[C@H]3CCC[C@H]2CC(NC(=O)c2ccccc2)C3)c1
InChIInChI=1S/C23H27N3O3/c1-29-21-12-5-9-17(15-21)25-23(28)26-19-10-6-11-20(26)14-18(13-19)24-22(27)16-7-3-2-4-8-16/h2-5,7-9,12,15,18-20H,6,10-11,13-14H2,1H3,(H,24,27)(H,25,28)/t19-,20-/m0/s1
InChIKeyDGKRVEUFONFCKQ-PMACEKPBSA-N
XLogP4.04
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.49
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(1S,5R)-3-[(3-methoxybenzoyl)amino]-N-phenyl-9-azabicyclo[3.3.1]nonane-9-carboxamide
CID 1467241
(1R,5R)-3-acetamido-N-(3-methoxyphenyl)-9-azabicyclo[3.3.1]nonane-9-carboxamide
CID 98110447
(1R,5R)-3-benzamido-N-(3-methylphenyl)-9-azabicyclo[3.3.1]nonane-9-carboxamide
CID 7403530
(1R,5R)-3-(cyclopropanecarbonylamino)-N-(3-methoxyphenyl)-9-azabicyclo[3.3.1]nonane-9-carboxamide
CID 98110448
(1S,5S)-3-benzamido-N-(3-fluorophenyl)-9-azabicyclo[3.3.1]nonane-9-carboxamide
CID 98110463
3-benzamido-N-(2-methoxyphenyl)-9-azabicyclo[3.3.1]nonane-9-carboxamide
CID 3218255
(1R,5R)-3-[(4-fluorobenzoyl)amino]-N-(3-fluorophenyl)-9-azabicyclo[3.3.1]nonane-9-carboxamide
CID 7403583
N-[(1S,5S)-9-cyclopropyl-9-azabicyclo[3.3.1]nonan-3-yl]-3-methoxybenzamide
CID 1461300
N-[(1R,5S)-9-cyclohexyl-9-azabicyclo[3.3.1]nonan-3-yl]-3-methoxybenzamide
CID 1461660
1-[(1S,5S)-9-cyclopropyl-9-azabicyclo[3.3.1]nonan-3-yl]-3-(3-methoxyphenyl)urea
CID 1460691
(1R,5S)-3-acetamido-N-(4-methoxyphenyl)-9-azabicyclo[3.3.1]nonane-9-carboxamide
CID 7403546
4-[(3-methoxybenzoyl)amino]-N-phenylpiperidine-1-carboxamide
CID 43814029

Frequently Asked Questions

What is the IUPAC name of (1S,5S)-3-benzamido-N-(3-methoxyphenyl)-9-azabicyclo[3.3.1]nonane-9-carboxamide?
The IUPAC name of (1S,5S)-3-benzamido-N-(3-methoxyphenyl)-9-azabicyclo[3.3.1]nonane-9-carboxamide (CID 7403544) is (1S,5S)-3-benzamido-N-(3-methoxyphenyl)-9-azabicyclo[3.3.1]nonane-9-carboxamide.
What is the SMILES notation for (1S,5S)-3-benzamido-N-(3-methoxyphenyl)-9-azabicyclo[3.3.1]nonane-9-carboxamide?
The canonical SMILES for (1S,5S)-3-benzamido-N-(3-methoxyphenyl)-9-azabicyclo[3.3.1]nonane-9-carboxamide is COc1cccc(NC(=O)N2[C@H]3CCC[C@H]2CC(NC(=O)c2ccccc2)C3)c1.
What is the InChIKey of (1S,5S)-3-benzamido-N-(3-methoxyphenyl)-9-azabicyclo[3.3.1]nonane-9-carboxamide?
The InChIKey is DGKRVEUFONFCKQ-PMACEKPBSA-N. The full InChI is InChI=1S/C23H27N3O3/c1-29-21-12-5-9-17(15-21)25-23(28)26-19-10-6-11-20(26)14-18(13-19)24-22(27)16-7-3-2-4-8-16/h2-5,7-9,12,15,18-20H,6,10-11,13-14H2,1H3,(H,24,27)(H,25,28)/t19-,20-/m0/s1.
What are the key properties of (1S,5S)-3-benzamido-N-(3-methoxyphenyl)-9-azabicyclo[3.3.1]nonane-9-carboxamide?
(1S,5S)-3-benzamido-N-(3-methoxyphenyl)-9-azabicyclo[3.3.1]nonane-9-carboxamide has a molecular weight of 393.49 g/mol, XLogP of 4.04, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,5S)-3-benzamido-N-(3-methoxyphenyl)-9-azabicyclo[3.3.1]nonane-9-carboxamide is sourced from PubChem (CID 7403544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).