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

C16H26N2O3 — CID 146118277

IUPAC(1R,5S)-7-(cyclopentylmethyl)-2-(2-methoxyacetyl)-2,7-diazabicyclo[3.3.1]nonan-8-one
SMILESCOCC(=O)N1CC[C@H]2C[C@@H]1C(=O)N(CC1CCCC1)C2
InChIInChI=1S/C16H26N2O3/c1-21-11-15(19)18-7-6-13-8-14(18)16(20)17(10-13)9-12-4-2-3-5-12/h12-14H,2-11H2,1H3/t13-,14+/m0/s1
InChIKeyWFZBZNMTCCNTEN-UONOGXRCSA-N
MW294.39 g/mol
LogP1.27
Rot. Bonds4

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

(1R,5S)-7-(cyclopentylmethyl)-2-(2-methoxyacetyl)-2,7-diazabicyclo[3.3.1]nonan-8-one (PubChem CID 146118277) has the molecular formula C16H26N2O3 and a molecular weight of 294.39 g/mol. Its IUPAC name is (1R,5S)-7-(cyclopentylmethyl)-2-(2-methoxyacetyl)-2,7-diazabicyclo[3.3.1]nonan-8-one.

Molecular Properties

Compound Name(1R,5S)-7-(cyclopentylmethyl)-2-(2-methoxyacetyl)-2,7-diazabicyclo[3.3.1]nonan-8-one
PubChem CID146118277
Molecular FormulaC16H26N2O3
Molecular Weight294.39 g/mol
Exact Mass294.19
IUPAC Name(1R,5S)-7-(cyclopentylmethyl)-2-(2-methoxyacetyl)-2,7-diazabicyclo[3.3.1]nonan-8-one
SMILESCOCC(=O)N1CC[C@H]2C[C@@H]1C(=O)N(CC1CCCC1)C2
InChIInChI=1S/C16H26N2O3/c1-21-11-15(19)18-7-6-13-8-14(18)16(20)17(10-13)9-12-4-2-3-5-12/h12-14H,2-11H2,1H3/t13-,14+/m0/s1
InChIKeyWFZBZNMTCCNTEN-UONOGXRCSA-N
XLogP1.27
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.39
LogP ≤ 51.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(1R,5S)-7-(cyclopentylmethyl)-2-(3-methoxybenzoyl)-2,7-diazabicyclo[3.3.1]nonan-8-one
CID 146118283
(1R,5S)-2-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-7-(2-methoxyethyl)-2,7-diazabicyclo[3.3.1]nonan-8-one
CID 146117971
1-[(2S,4S)-2,4-dimethylpiperidin-1-yl]-2-methoxyethanone
CID 130690746
(1R,5S)-7-(cyclopropylmethyl)-2-(4,4-difluorocyclohexyl)-2,7-diazabicyclo[3.3.1]nonan-8-one
CID 146117941
(1R,5S)-7-[2-(dimethylamino)-2-oxoethyl]-8-oxo-N-phenyl-2,7-diazabicyclo[3.3.1]nonane-2-carboxamide
CID 146118252
1-[(3R)-3-ethylpiperidin-1-yl]-2-methoxyethanone
CID 155354237
(1R,5S)-7-(cyclopropylmethyl)-2-[(4-fluorophenyl)methyl]-2,7-diazabicyclo[3.3.1]nonan-8-one
CID 146117952
N,N-dimethyl-2-[(1R,5S)-8-oxo-2-propyl-2,7-diazabicyclo[3.3.1]nonan-7-yl]acetamide
CID 146118084
1-[(3aS,7aR)-1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl]-2-methoxyethanone
CID 130657748
(2R)-1-(2-methoxyacetyl)piperidine-2-carboxylic acid
CID 30046872
1-(3-ethoxypiperidin-1-yl)-3-methoxypropan-2-one
CID 107507197
1-(2-methoxyacetyl)pyrrolidine-2-carboxylic acid
CID 16773864

Frequently Asked Questions

What is the IUPAC name of (1R,5S)-7-(cyclopentylmethyl)-2-(2-methoxyacetyl)-2,7-diazabicyclo[3.3.1]nonan-8-one?
The IUPAC name of (1R,5S)-7-(cyclopentylmethyl)-2-(2-methoxyacetyl)-2,7-diazabicyclo[3.3.1]nonan-8-one (CID 146118277) is (1R,5S)-7-(cyclopentylmethyl)-2-(2-methoxyacetyl)-2,7-diazabicyclo[3.3.1]nonan-8-one.
What is the SMILES notation for (1R,5S)-7-(cyclopentylmethyl)-2-(2-methoxyacetyl)-2,7-diazabicyclo[3.3.1]nonan-8-one?
The canonical SMILES for (1R,5S)-7-(cyclopentylmethyl)-2-(2-methoxyacetyl)-2,7-diazabicyclo[3.3.1]nonan-8-one is COCC(=O)N1CC[C@H]2C[C@@H]1C(=O)N(CC1CCCC1)C2.
What is the InChIKey of (1R,5S)-7-(cyclopentylmethyl)-2-(2-methoxyacetyl)-2,7-diazabicyclo[3.3.1]nonan-8-one?
The InChIKey is WFZBZNMTCCNTEN-UONOGXRCSA-N. The full InChI is InChI=1S/C16H26N2O3/c1-21-11-15(19)18-7-6-13-8-14(18)16(20)17(10-13)9-12-4-2-3-5-12/h12-14H,2-11H2,1H3/t13-,14+/m0/s1.
What are the key properties of (1R,5S)-7-(cyclopentylmethyl)-2-(2-methoxyacetyl)-2,7-diazabicyclo[3.3.1]nonan-8-one?
(1R,5S)-7-(cyclopentylmethyl)-2-(2-methoxyacetyl)-2,7-diazabicyclo[3.3.1]nonan-8-one has a molecular weight of 294.39 g/mol, XLogP of 1.27, 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-(2-methoxyacetyl)-2,7-diazabicyclo[3.3.1]nonan-8-one is sourced from PubChem (CID 146118277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).