(1R,5S)-7-(cyclopentylmethyl)-2-(3-methoxybenzoyl)-2,7-diazabicyclo[3.3.1]nonan-8-one

C21H28N2O3 — CID 146118283

IUPAC(1R,5S)-7-(cyclopentylmethyl)-2-(3-methoxybenzoyl)-2,7-diazabicyclo[3.3.1]nonan-8-one
SMILESCOc1cccc(C(=O)N2CC[C@H]3C[C@@H]2C(=O)N(CC2CCCC2)C3)c1
InChIInChI=1S/C21H28N2O3/c1-26-18-8-4-7-17(12-18)20(24)23-10-9-16-11-19(23)21(25)22(14-16)13-15-5-2-3-6-15/h4,7-8,12,15-16,19H,2-3,5-6,9-11,13-14H2,1H3/t16-,19+/m0/s1
InChIKeyCAXWWHZKPIWGBI-QFBILLFUSA-N
MW356.47 g/mol
LogP2.95
Rot. Bonds4

About (1R,5S)-7-(cyclopentylmethyl)-2-(3-methoxybenzoyl)-2,7-diazabicyclo[3.3.1]nonan-8-one

(1R,5S)-7-(cyclopentylmethyl)-2-(3-methoxybenzoyl)-2,7-diazabicyclo[3.3.1]nonan-8-one (PubChem CID 146118283) has the molecular formula C21H28N2O3 and a molecular weight of 356.47 g/mol. Its IUPAC name is (1R,5S)-7-(cyclopentylmethyl)-2-(3-methoxybenzoyl)-2,7-diazabicyclo[3.3.1]nonan-8-one.

Molecular Properties

Compound Name(1R,5S)-7-(cyclopentylmethyl)-2-(3-methoxybenzoyl)-2,7-diazabicyclo[3.3.1]nonan-8-one
PubChem CID146118283
Molecular FormulaC21H28N2O3
Molecular Weight356.47 g/mol
Exact Mass356.21
IUPAC Name(1R,5S)-7-(cyclopentylmethyl)-2-(3-methoxybenzoyl)-2,7-diazabicyclo[3.3.1]nonan-8-one
SMILESCOc1cccc(C(=O)N2CC[C@H]3C[C@@H]2C(=O)N(CC2CCCC2)C3)c1
InChIInChI=1S/C21H28N2O3/c1-26-18-8-4-7-17(12-18)20(24)23-10-9-16-11-19(23)21(25)22(14-16)13-15-5-2-3-6-15/h4,7-8,12,15-16,19H,2-3,5-6,9-11,13-14H2,1H3/t16-,19+/m0/s1
InChIKeyCAXWWHZKPIWGBI-QFBILLFUSA-N
XLogP2.95
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (1R,5S)-7-(cyclopentylmethyl)-2-(3-methoxybenzoyl)-2,7-diazabicyclo[3.3.1]nonan-8-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1R,5S)-7-[(3-fluorophenyl)methyl]-2-(3-methoxybenzoyl)-2,7-diazabicyclo[3.3.1]nonan-8-one
CID 146118263
(1R,5S)-7-(cyclopentylmethyl)-2-(2-methoxyacetyl)-2,7-diazabicyclo[3.3.1]nonan-8-one
CID 146118277
[(4R,4aR,7aR)-6-(cyclopropylmethyl)-4-methoxy-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridin-1-yl]-(3-methoxyphenyl)methanone
CID 133144945
[(4R,4aS,7aS)-6-(cyclopropylmethyl)-4-methoxy-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridin-1-yl]-(3-methoxyphenyl)methanone
CID 97420788
(5S)-7-(cyclopropylmethyl)-2-(3-methoxybenzoyl)-2,7-diazaspiro[4.5]decan-6-one
CID 26405234
[(2R)-1-(3-methoxybenzoyl)piperidin-2-yl]methylurea
CID 95306637
8-(cyclopropylmethyl)-2-[1-(3-methoxybenzoyl)piperidin-2-yl]-4-methyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
CID 110260734
1-(3-methoxybenzoyl)-4-methylpiperidine-2-carboxylic acid
CID 114421987
[2-(aminomethyl)pyrrolidin-1-yl]-(3-methoxyphenyl)methanone;hydrochloride
CID 119634499
[2-(bromomethyl)-3-methylpyrrolidin-1-yl]-(3-methoxyphenyl)methanone
CID 102787808
[(2S,4R)-2-(hydroxymethyl)-4-methoxypyrrolidin-1-yl]-(3-methoxyphenyl)methanone
CID 128984749
[(2S,4S)-2-(hydroxymethyl)-4-methoxypyrrolidin-1-yl]-(3-methoxyphenyl)methanone
CID 128985160

Frequently Asked Questions

What is the IUPAC name of (1R,5S)-7-(cyclopentylmethyl)-2-(3-methoxybenzoyl)-2,7-diazabicyclo[3.3.1]nonan-8-one?
The IUPAC name of (1R,5S)-7-(cyclopentylmethyl)-2-(3-methoxybenzoyl)-2,7-diazabicyclo[3.3.1]nonan-8-one (CID 146118283) is (1R,5S)-7-(cyclopentylmethyl)-2-(3-methoxybenzoyl)-2,7-diazabicyclo[3.3.1]nonan-8-one.
What is the SMILES notation for (1R,5S)-7-(cyclopentylmethyl)-2-(3-methoxybenzoyl)-2,7-diazabicyclo[3.3.1]nonan-8-one?
The canonical SMILES for (1R,5S)-7-(cyclopentylmethyl)-2-(3-methoxybenzoyl)-2,7-diazabicyclo[3.3.1]nonan-8-one is COc1cccc(C(=O)N2CC[C@H]3C[C@@H]2C(=O)N(CC2CCCC2)C3)c1.
What is the InChIKey of (1R,5S)-7-(cyclopentylmethyl)-2-(3-methoxybenzoyl)-2,7-diazabicyclo[3.3.1]nonan-8-one?
The InChIKey is CAXWWHZKPIWGBI-QFBILLFUSA-N. The full InChI is InChI=1S/C21H28N2O3/c1-26-18-8-4-7-17(12-18)20(24)23-10-9-16-11-19(23)21(25)22(14-16)13-15-5-2-3-6-15/h4,7-8,12,15-16,19H,2-3,5-6,9-11,13-14H2,1H3/t16-,19+/m0/s1.
What are the key properties of (1R,5S)-7-(cyclopentylmethyl)-2-(3-methoxybenzoyl)-2,7-diazabicyclo[3.3.1]nonan-8-one?
(1R,5S)-7-(cyclopentylmethyl)-2-(3-methoxybenzoyl)-2,7-diazabicyclo[3.3.1]nonan-8-one has a molecular weight of 356.47 g/mol, XLogP of 2.95, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,5S)-7-(cyclopentylmethyl)-2-(3-methoxybenzoyl)-2,7-diazabicyclo[3.3.1]nonan-8-one is sourced from PubChem (CID 146118283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).