1-[(1S,5R)-3,8-diazabicyclo[3.2.1]octan-3-yl]-3-(furan-2-yl)-3-phenylpropan-1-one;hydrochloride

C19H23ClN2O2 — CID 154924466

IUPAC1-[(1S,5R)-3,8-diazabicyclo[3.2.1]octan-3-yl]-3-(furan-2-yl)-3-phenylpropan-1-one;hydrochloride
SMILESCl.O=C(CC(c1ccccc1)c1ccco1)N1C[C@H]2CC[C@@H](C1)N2
InChIInChI=1S/C19H22N2O2.ClH/c22-19(21-12-15-8-9-16(13-21)20-15)11-17(18-7-4-10-23-18)14-5-2-1-3-6-14;/h1-7,10,15-17,20H,8-9,11-13H2;1H/t15-,16+,17?;
InChIKeyYCCFMZWENYUKMP-NDRUTXPUSA-N
MW346.86 g/mol
LogP3.19
Rot. Bonds4

About 1-[(1S,5R)-3,8-diazabicyclo[3.2.1]octan-3-yl]-3-(furan-2-yl)-3-phenylpropan-1-one;hydrochloride

1-[(1S,5R)-3,8-diazabicyclo[3.2.1]octan-3-yl]-3-(furan-2-yl)-3-phenylpropan-1-one;hydrochloride (PubChem CID 154924466) has the molecular formula C19H23ClN2O2 and a molecular weight of 346.86 g/mol. Its IUPAC name is 1-[(1S,5R)-3,8-diazabicyclo[3.2.1]octan-3-yl]-3-(furan-2-yl)-3-phenylpropan-1-one;hydrochloride.

Molecular Properties

Compound Name1-[(1S,5R)-3,8-diazabicyclo[3.2.1]octan-3-yl]-3-(furan-2-yl)-3-phenylpropan-1-one;hydrochloride
PubChem CID154924466
Molecular FormulaC19H23ClN2O2
Molecular Weight346.86 g/mol
Exact Mass346.14
IUPAC Name1-[(1S,5R)-3,8-diazabicyclo[3.2.1]octan-3-yl]-3-(furan-2-yl)-3-phenylpropan-1-one;hydrochloride
SMILESCl.O=C(CC(c1ccccc1)c1ccco1)N1C[C@H]2CC[C@@H](C1)N2
InChIInChI=1S/C19H22N2O2.ClH/c22-19(21-12-15-8-9-16(13-21)20-15)11-17(18-7-4-10-23-18)14-5-2-1-3-6-14;/h1-7,10,15-17,20H,8-9,11-13H2;1H/t15-,16+,17?;
InChIKeyYCCFMZWENYUKMP-NDRUTXPUSA-N
XLogP3.19
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.86
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[(1S,5R)-3,8-diazabicyclo[3.2.1]octan-3-yl]-3-(furan-2-yl)-3-phenylpropan-1-one;hydrochloride 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)-3-(furan-2-yl)-1-morpholin-4-yl-3-phenylpropan-1-one
CID 948351
3-(furan-2-yl)-3-phenyl-1-(4-pyridin-4-ylpiperidin-1-yl)propan-1-one
CID 50954754
(3R)-3-(4-fluorophenyl)-3-(furan-2-yl)-1-piperidin-1-ylpropan-1-one
CID 947485
1-[4-(2-aminopyrimidin-4-yl)piperidin-1-yl]-3-(furan-2-yl)-3-phenylpropan-1-one
CID 131948781
1-[3-(furan-2-ylmethylsulfonyl)azetidin-1-yl]-3,3-diphenylpropan-1-one
CID 71809429
8-[3-(furan-2-yl)-3-phenylpropanoyl]-1,3-dioxa-8-azaspiro[4.5]decan-2-one
CID 131932959
(3R)-3-(furan-2-yl)-3-(4-methylphenyl)-1-morpholin-4-ylpropan-1-one
CID 6546229
(3S)-3-(furan-2-yl)-3-phenylpropanehydrazide
CID 42535403
1-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-3,3-diphenylpropan-1-one
CID 7322462
7-[3-(furan-2-yl)-3-phenylpropanoyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-3-carboxamide
CID 56706646
5-[(3R)-3-(furan-2-yl)-3-phenylpropanoyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid
CID 95200224
N-[3-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-3-oxo-1-phenylpropyl]-4-methylbenzamide;hydrochloride
CID 119638842

Frequently Asked Questions

What is the IUPAC name of 1-[(1S,5R)-3,8-diazabicyclo[3.2.1]octan-3-yl]-3-(furan-2-yl)-3-phenylpropan-1-one;hydrochloride?
The IUPAC name of 1-[(1S,5R)-3,8-diazabicyclo[3.2.1]octan-3-yl]-3-(furan-2-yl)-3-phenylpropan-1-one;hydrochloride (CID 154924466) is 1-[(1S,5R)-3,8-diazabicyclo[3.2.1]octan-3-yl]-3-(furan-2-yl)-3-phenylpropan-1-one;hydrochloride.
What is the SMILES notation for 1-[(1S,5R)-3,8-diazabicyclo[3.2.1]octan-3-yl]-3-(furan-2-yl)-3-phenylpropan-1-one;hydrochloride?
The canonical SMILES for 1-[(1S,5R)-3,8-diazabicyclo[3.2.1]octan-3-yl]-3-(furan-2-yl)-3-phenylpropan-1-one;hydrochloride is Cl.O=C(CC(c1ccccc1)c1ccco1)N1C[C@H]2CC[C@@H](C1)N2.
What is the InChIKey of 1-[(1S,5R)-3,8-diazabicyclo[3.2.1]octan-3-yl]-3-(furan-2-yl)-3-phenylpropan-1-one;hydrochloride?
The InChIKey is YCCFMZWENYUKMP-NDRUTXPUSA-N. The full InChI is InChI=1S/C19H22N2O2.ClH/c22-19(21-12-15-8-9-16(13-21)20-15)11-17(18-7-4-10-23-18)14-5-2-1-3-6-14;/h1-7,10,15-17,20H,8-9,11-13H2;1H/t15-,16+,17?;.
What are the key properties of 1-[(1S,5R)-3,8-diazabicyclo[3.2.1]octan-3-yl]-3-(furan-2-yl)-3-phenylpropan-1-one;hydrochloride?
1-[(1S,5R)-3,8-diazabicyclo[3.2.1]octan-3-yl]-3-(furan-2-yl)-3-phenylpropan-1-one;hydrochloride has a molecular weight of 346.86 g/mol, XLogP of 3.19, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S,5R)-3,8-diazabicyclo[3.2.1]octan-3-yl]-3-(furan-2-yl)-3-phenylpropan-1-one;hydrochloride is sourced from PubChem (CID 154924466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).