[(1R,2S,9R)-7,11-diazatricyclo[7.3.1.02,7]tridecan-11-yl]-[(2R,5R)-5-phenylpyrrolidin-2-yl]methanone

C22H31N3O — CID 154570768

IUPAC[(1R,2S,9R)-7,11-diazatricyclo[7.3.1.02,7]tridecan-11-yl]-[(2R,5R)-5-phenylpyrrolidin-2-yl]methanone
SMILESO=C([C@H]1CC[C@H](c2ccccc2)N1)N1C[C@@H]2C[C@H](C1)[C@@H]1CCCCN1C2
InChIInChI=1S/C22H31N3O/c26-22(20-10-9-19(23-20)17-6-2-1-3-7-17)25-14-16-12-18(15-25)21-8-4-5-11-24(21)13-16/h1-3,6-7,16,18-21,23H,4-5,8-15H2/t16-,18-,19-,20-,21+/m1/s1
InChIKeyMTCJNFJUKBDZFZ-MLZLACJZSA-N
MW353.51 g/mol
LogP2.81
Rot. Bonds2

About [(1R,2S,9R)-7,11-diazatricyclo[7.3.1.02,7]tridecan-11-yl]-[(2R,5R)-5-phenylpyrrolidin-2-yl]methanone

[(1R,2S,9R)-7,11-diazatricyclo[7.3.1.02,7]tridecan-11-yl]-[(2R,5R)-5-phenylpyrrolidin-2-yl]methanone (PubChem CID 154570768) has the molecular formula C22H31N3O and a molecular weight of 353.51 g/mol. Its IUPAC name is [(1R,2S,9R)-7,11-diazatricyclo[7.3.1.02,7]tridecan-11-yl]-[(2R,5R)-5-phenylpyrrolidin-2-yl]methanone.

Molecular Properties

Compound Name[(1R,2S,9R)-7,11-diazatricyclo[7.3.1.02,7]tridecan-11-yl]-[(2R,5R)-5-phenylpyrrolidin-2-yl]methanone
PubChem CID154570768
Molecular FormulaC22H31N3O
Molecular Weight353.51 g/mol
Exact Mass353.25
IUPAC Name[(1R,2S,9R)-7,11-diazatricyclo[7.3.1.02,7]tridecan-11-yl]-[(2R,5R)-5-phenylpyrrolidin-2-yl]methanone
SMILESO=C([C@H]1CC[C@H](c2ccccc2)N1)N1C[C@@H]2C[C@H](C1)[C@@H]1CCCCN1C2
InChIInChI=1S/C22H31N3O/c26-22(20-10-9-19(23-20)17-6-2-1-3-7-17)25-14-16-12-18(15-25)21-8-4-5-11-24(21)13-16/h1-3,6-7,16,18-21,23H,4-5,8-15H2/t16-,18-,19-,20-,21+/m1/s1
InChIKeyMTCJNFJUKBDZFZ-MLZLACJZSA-N
XLogP2.81
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.51
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [(1R,2S,9R)-7,11-diazatricyclo[7.3.1.02,7]tridecan-11-yl]-[(2R,5R)-5-phenylpyrrolidin-2-yl]methanone with MolForge

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Related Compounds

[4-(2-hydroxyethyl)piperazin-1-yl]-[(2R,5R)-5-phenylpyrrolidin-2-yl]methanone;dihydrochloride
CID 154924091
[(2R,5R)-5-phenylpyrrolidin-2-yl]-[4-(1,2,4-triazol-4-yl)piperidin-1-yl]methanone
CID 155493050
(2S,5R)-5-phenylpyrrolidine-2-carboxylic acid;hydrochloride
CID 70544231
azetidin-1-yl-(5-phenylpyrazolidin-3-yl)methanone
CID 52973016
1-(5-phenylpyrazolidine-3-carbonyl)pyrrolidine-3-carboxylic acid
CID 76985388
[(1R,2S,9R)-7,11-diazatricyclo[7.3.1.02,7]tridecan-11-yl]-[1-(2-methoxyphenyl)pyrazol-4-yl]methanone
CID 154568541
1-[3-[(1R,2S,9R)-7,11-diazatricyclo[7.3.1.02,7]tridecan-11-yl]-3-oxopropyl]pyrimidine-2,4-dione
CID 155494668
(2S,5R)-N-methyl-5-phenylpyrrolidine-2-carboxamide;hydrochloride
CID 146049803
7-[(2R,5R)-5-phenylpyrrolidine-2-carbonyl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 155495679
methyl 5-phenylpyrrolidine-2-carboxylate
CID 67257959
(2S)-1-[(2S,5R)-5-phenylpyrrolidine-2-carbonyl]pyrrolidine-2-carbonitrile;2,2,2-trifluoroacetic acid
CID 11703662
[(1R,2S,6R,9R)-6-benzyl-7,11-diazatricyclo[7.3.1.02,7]tridecan-11-yl]-cyclopropylmethanone
CID 166614046

Frequently Asked Questions

What is the IUPAC name of [(1R,2S,9R)-7,11-diazatricyclo[7.3.1.02,7]tridecan-11-yl]-[(2R,5R)-5-phenylpyrrolidin-2-yl]methanone?
The IUPAC name of [(1R,2S,9R)-7,11-diazatricyclo[7.3.1.02,7]tridecan-11-yl]-[(2R,5R)-5-phenylpyrrolidin-2-yl]methanone (CID 154570768) is [(1R,2S,9R)-7,11-diazatricyclo[7.3.1.02,7]tridecan-11-yl]-[(2R,5R)-5-phenylpyrrolidin-2-yl]methanone.
What is the SMILES notation for [(1R,2S,9R)-7,11-diazatricyclo[7.3.1.02,7]tridecan-11-yl]-[(2R,5R)-5-phenylpyrrolidin-2-yl]methanone?
The canonical SMILES for [(1R,2S,9R)-7,11-diazatricyclo[7.3.1.02,7]tridecan-11-yl]-[(2R,5R)-5-phenylpyrrolidin-2-yl]methanone is O=C([C@H]1CC[C@H](c2ccccc2)N1)N1C[C@@H]2C[C@H](C1)[C@@H]1CCCCN1C2.
What is the InChIKey of [(1R,2S,9R)-7,11-diazatricyclo[7.3.1.02,7]tridecan-11-yl]-[(2R,5R)-5-phenylpyrrolidin-2-yl]methanone?
The InChIKey is MTCJNFJUKBDZFZ-MLZLACJZSA-N. The full InChI is InChI=1S/C22H31N3O/c26-22(20-10-9-19(23-20)17-6-2-1-3-7-17)25-14-16-12-18(15-25)21-8-4-5-11-24(21)13-16/h1-3,6-7,16,18-21,23H,4-5,8-15H2/t16-,18-,19-,20-,21+/m1/s1.
What are the key properties of [(1R,2S,9R)-7,11-diazatricyclo[7.3.1.02,7]tridecan-11-yl]-[(2R,5R)-5-phenylpyrrolidin-2-yl]methanone?
[(1R,2S,9R)-7,11-diazatricyclo[7.3.1.02,7]tridecan-11-yl]-[(2R,5R)-5-phenylpyrrolidin-2-yl]methanone has a molecular weight of 353.51 g/mol, XLogP of 2.81, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2S,9R)-7,11-diazatricyclo[7.3.1.02,7]tridecan-11-yl]-[(2R,5R)-5-phenylpyrrolidin-2-yl]methanone is sourced from PubChem (CID 154570768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).