(1R,5S)-7-[2-(dimethylamino)-2-oxoethyl]-8-oxo-N-phenyl-2,7-diazabicyclo[3.3.1]nonane-2-carboxamide

C18H24N4O3 — CID 146118252

IUPAC(1R,5S)-7-[2-(dimethylamino)-2-oxoethyl]-8-oxo-N-phenyl-2,7-diazabicyclo[3.3.1]nonane-2-carboxamide
SMILESCN(C)C(=O)CN1C[C@H]2CCN(C(=O)Nc3ccccc3)[C@H](C2)C1=O
InChIInChI=1S/C18H24N4O3/c1-20(2)16(23)12-21-11-13-8-9-22(15(10-13)17(21)24)18(25)19-14-6-4-3-5-7-14/h3-7,13,15H,8-12H2,1-2H3,(H,19,25)/t13-,15+/m0/s1
InChIKeyICMZMJQDSZBDLP-DZGCQCFKSA-N
MW344.41 g/mol
LogP1.23
Rot. Bonds3

About (1R,5S)-7-[2-(dimethylamino)-2-oxoethyl]-8-oxo-N-phenyl-2,7-diazabicyclo[3.3.1]nonane-2-carboxamide

(1R,5S)-7-[2-(dimethylamino)-2-oxoethyl]-8-oxo-N-phenyl-2,7-diazabicyclo[3.3.1]nonane-2-carboxamide (PubChem CID 146118252) has the molecular formula C18H24N4O3 and a molecular weight of 344.41 g/mol. Its IUPAC name is (1R,5S)-7-[2-(dimethylamino)-2-oxoethyl]-8-oxo-N-phenyl-2,7-diazabicyclo[3.3.1]nonane-2-carboxamide.

Molecular Properties

Compound Name(1R,5S)-7-[2-(dimethylamino)-2-oxoethyl]-8-oxo-N-phenyl-2,7-diazabicyclo[3.3.1]nonane-2-carboxamide
PubChem CID146118252
Molecular FormulaC18H24N4O3
Molecular Weight344.41 g/mol
Exact Mass344.18
IUPAC Name(1R,5S)-7-[2-(dimethylamino)-2-oxoethyl]-8-oxo-N-phenyl-2,7-diazabicyclo[3.3.1]nonane-2-carboxamide
SMILESCN(C)C(=O)CN1C[C@H]2CCN(C(=O)Nc3ccccc3)[C@H](C2)C1=O
InChIInChI=1S/C18H24N4O3/c1-20(2)16(23)12-21-11-13-8-9-22(15(10-13)17(21)24)18(25)19-14-6-4-3-5-7-14/h3-7,13,15H,8-12H2,1-2H3,(H,19,25)/t13-,15+/m0/s1
InChIKeyICMZMJQDSZBDLP-DZGCQCFKSA-N
XLogP1.23
TPSA72.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.41
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1R,5S)-7-benzyl-8-oxo-N-pyridin-3-yl-2,7-diazabicyclo[3.3.1]nonane-2-carboxamide
CID 146118167
(1R,5S)-N-(4-fluorophenyl)-7-[(3-fluorophenyl)methyl]-8-oxo-2,7-diazabicyclo[3.3.1]nonane-2-carboxamide
CID 146118270
N,N-dimethyl-2-[(1R,5S)-8-oxo-2-propyl-2,7-diazabicyclo[3.3.1]nonan-7-yl]acetamide
CID 146118084
(1S,5S,9S)-2-N,6-N,10-N-triphenyl-2,6,10,13-tetrazatricyclo[7.3.1.05,13]tridecane-2,6,10-tricarboxamide
CID 97299719
2-(aminomethyl)-4-methyl-N-phenylpiperidine-1-carboxamide
CID 103441332
(2S)-2-(2-methylphenyl)-N-phenylpyrrolidine-1-carboxamide
CID 51856075
2-(aminomethyl)-3-methyl-N-phenylpyrrolidine-1-carboxamide
CID 102783638
N-[4-(dimethylsulfamoyl)phenyl]-2-phenylazetidine-1-carboxamide
CID 51116324
(1S,5R)-3-[2-(dimethylamino)-2-oxoethyl]-N-(4-propan-2-ylphenyl)-3,6-diazabicyclo[3.2.2]nonane-6-carboxamide
CID 72859733
(2R)-2-ethyl-N-phenylpiperidine-1-carboxamide
CID 728630
N-(4-fluorophenyl)-2-phenylazetidine-1-carboxamide
CID 47034423
2-(5-methylthiophen-2-yl)-N-phenylazepane-1-carboxamide
CID 22586847

Frequently Asked Questions

What is the IUPAC name of (1R,5S)-7-[2-(dimethylamino)-2-oxoethyl]-8-oxo-N-phenyl-2,7-diazabicyclo[3.3.1]nonane-2-carboxamide?
The IUPAC name of (1R,5S)-7-[2-(dimethylamino)-2-oxoethyl]-8-oxo-N-phenyl-2,7-diazabicyclo[3.3.1]nonane-2-carboxamide (CID 146118252) is (1R,5S)-7-[2-(dimethylamino)-2-oxoethyl]-8-oxo-N-phenyl-2,7-diazabicyclo[3.3.1]nonane-2-carboxamide.
What is the SMILES notation for (1R,5S)-7-[2-(dimethylamino)-2-oxoethyl]-8-oxo-N-phenyl-2,7-diazabicyclo[3.3.1]nonane-2-carboxamide?
The canonical SMILES for (1R,5S)-7-[2-(dimethylamino)-2-oxoethyl]-8-oxo-N-phenyl-2,7-diazabicyclo[3.3.1]nonane-2-carboxamide is CN(C)C(=O)CN1C[C@H]2CCN(C(=O)Nc3ccccc3)[C@H](C2)C1=O.
What is the InChIKey of (1R,5S)-7-[2-(dimethylamino)-2-oxoethyl]-8-oxo-N-phenyl-2,7-diazabicyclo[3.3.1]nonane-2-carboxamide?
The InChIKey is ICMZMJQDSZBDLP-DZGCQCFKSA-N. The full InChI is InChI=1S/C18H24N4O3/c1-20(2)16(23)12-21-11-13-8-9-22(15(10-13)17(21)24)18(25)19-14-6-4-3-5-7-14/h3-7,13,15H,8-12H2,1-2H3,(H,19,25)/t13-,15+/m0/s1.
What are the key properties of (1R,5S)-7-[2-(dimethylamino)-2-oxoethyl]-8-oxo-N-phenyl-2,7-diazabicyclo[3.3.1]nonane-2-carboxamide?
(1R,5S)-7-[2-(dimethylamino)-2-oxoethyl]-8-oxo-N-phenyl-2,7-diazabicyclo[3.3.1]nonane-2-carboxamide has a molecular weight of 344.41 g/mol, XLogP of 1.23, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,5S)-7-[2-(dimethylamino)-2-oxoethyl]-8-oxo-N-phenyl-2,7-diazabicyclo[3.3.1]nonane-2-carboxamide is sourced from PubChem (CID 146118252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).