3,9-diazabicyclo[4.2.1]nonan-3-yl-[1-[(4-fluorophenyl)methyl]pyrrolidin-2-yl]methanone

C19H26FN3O — CID 119636461

IUPAC3,9-diazabicyclo[4.2.1]nonan-3-yl-[1-[(4-fluorophenyl)methyl]pyrrolidin-2-yl]methanone
SMILESO=C(C1CCCN1Cc1ccc(F)cc1)N1CCC2CCC(C1)N2
InChIInChI=1S/C19H26FN3O/c20-15-5-3-14(4-6-15)12-22-10-1-2-18(22)19(24)23-11-9-16-7-8-17(13-23)21-16/h3-6,16-18,21H,1-2,7-13H2
InChIKeyUCEVBNXJYQUSSL-UHFFFAOYSA-N
MW331.43 g/mol
LogP2.14
Rot. Bonds3

About 3,9-diazabicyclo[4.2.1]nonan-3-yl-[1-[(4-fluorophenyl)methyl]pyrrolidin-2-yl]methanone

3,9-diazabicyclo[4.2.1]nonan-3-yl-[1-[(4-fluorophenyl)methyl]pyrrolidin-2-yl]methanone (PubChem CID 119636461) has the molecular formula C19H26FN3O and a molecular weight of 331.43 g/mol. Its IUPAC name is 3,9-diazabicyclo[4.2.1]nonan-3-yl-[1-[(4-fluorophenyl)methyl]pyrrolidin-2-yl]methanone.

Molecular Properties

Compound Name3,9-diazabicyclo[4.2.1]nonan-3-yl-[1-[(4-fluorophenyl)methyl]pyrrolidin-2-yl]methanone
PubChem CID119636461
Molecular FormulaC19H26FN3O
Molecular Weight331.43 g/mol
Exact Mass331.21
IUPAC Name3,9-diazabicyclo[4.2.1]nonan-3-yl-[1-[(4-fluorophenyl)methyl]pyrrolidin-2-yl]methanone
SMILESO=C(C1CCCN1Cc1ccc(F)cc1)N1CCC2CCC(C1)N2
InChIInChI=1S/C19H26FN3O/c20-15-5-3-14(4-6-15)12-22-10-1-2-18(22)19(24)23-11-9-16-7-8-17(13-23)21-16/h3-6,16-18,21H,1-2,7-13H2
InChIKeyUCEVBNXJYQUSSL-UHFFFAOYSA-N
XLogP2.14
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.43
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3,9-diazabicyclo[4.2.1]nonan-3-yl-[1-[(4-fluorophenyl)methyl]pyrrolidin-2-yl]methanone 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

(3R)-1-[(2R)-1-[(4-fluorophenyl)methyl]piperidine-2-carbonyl]pyrrolidine-3-carboxylic acid
CID 124778435
[(3S)-3-[(1S)-1-aminoethyl]piperidin-1-yl]-[(2R)-1-[(4-fluorophenyl)methyl]pyrrolidin-2-yl]methanone
CID 124779272
[4-(1-aminoethyl)piperidin-1-yl]-[1-[(4-fluorophenyl)methyl]pyrrolidin-2-yl]methanone
CID 119518177
[(2R)-1-[(4-fluorophenyl)methyl]piperidin-2-yl]-[(3S)-3-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 124612785
[(2S)-1-[(4-fluorophenyl)methyl]piperidin-2-yl]-morpholin-4-ylmethanone
CID 95176295
[1-[(4-hydroxyphenyl)methyl]pyrrolidin-2-yl]-piperazin-1-ylmethanone
CID 61175122
1-[(4-fluorophenyl)methyl]-N-methylpyrrolidine-2-carboxamide
CID 47377078
(1-benzylpyrrolidin-2-yl)-pyrrolidin-1-ylmethanone
CID 23282646
3,9-diazabicyclo[4.2.1]nonan-3-yl-(4-fluorophenyl)methanone;hydrochloride
CID 86780037
(1-benzylpyrrolidin-2-yl)-(4-hydroxypiperidin-1-yl)methanone
CID 60578972
(2R)-1-[(3,4-difluorophenyl)methyl]pyrrolidine-2-carboxylic acid
CID 96661922
[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidin-1-yl]-[1-[(4-fluorophenyl)methyl]piperidin-2-yl]methanone;hydrochloride
CID 120741964

Frequently Asked Questions

What is the IUPAC name of 3,9-diazabicyclo[4.2.1]nonan-3-yl-[1-[(4-fluorophenyl)methyl]pyrrolidin-2-yl]methanone?
The IUPAC name of 3,9-diazabicyclo[4.2.1]nonan-3-yl-[1-[(4-fluorophenyl)methyl]pyrrolidin-2-yl]methanone (CID 119636461) is 3,9-diazabicyclo[4.2.1]nonan-3-yl-[1-[(4-fluorophenyl)methyl]pyrrolidin-2-yl]methanone.
What is the SMILES notation for 3,9-diazabicyclo[4.2.1]nonan-3-yl-[1-[(4-fluorophenyl)methyl]pyrrolidin-2-yl]methanone?
The canonical SMILES for 3,9-diazabicyclo[4.2.1]nonan-3-yl-[1-[(4-fluorophenyl)methyl]pyrrolidin-2-yl]methanone is O=C(C1CCCN1Cc1ccc(F)cc1)N1CCC2CCC(C1)N2.
What is the InChIKey of 3,9-diazabicyclo[4.2.1]nonan-3-yl-[1-[(4-fluorophenyl)methyl]pyrrolidin-2-yl]methanone?
The InChIKey is UCEVBNXJYQUSSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26FN3O/c20-15-5-3-14(4-6-15)12-22-10-1-2-18(22)19(24)23-11-9-16-7-8-17(13-23)21-16/h3-6,16-18,21H,1-2,7-13H2.
What are the key properties of 3,9-diazabicyclo[4.2.1]nonan-3-yl-[1-[(4-fluorophenyl)methyl]pyrrolidin-2-yl]methanone?
3,9-diazabicyclo[4.2.1]nonan-3-yl-[1-[(4-fluorophenyl)methyl]pyrrolidin-2-yl]methanone has a molecular weight of 331.43 g/mol, XLogP of 2.14, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,9-diazabicyclo[4.2.1]nonan-3-yl-[1-[(4-fluorophenyl)methyl]pyrrolidin-2-yl]methanone is sourced from PubChem (CID 119636461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).