N-[(9R)-5-(3-hydroxyphenyl)-4-methyl-2-(3-phenylpropyl)-2-azabicyclo[3.3.1]nonan-9-yl]-3-piperidin-1-ylpropanamide

C32H45N3O2 — CID 59061959

IUPACN-[(9R)-5-(3-hydroxyphenyl)-4-methyl-2-(3-phenylpropyl)-2-azabicyclo[3.3.1]nonan-9-yl]-3-piperidin-1-ylpropanamide
SMILESCC1CN(CCCc2ccccc2)C2CCCC1(c1cccc(O)c1)[C@H]2NC(=O)CCN1CCCCC1
InChIInChI=1S/C32H45N3O2/c1-25-24-35(21-10-13-26-11-4-2-5-12-26)29-16-9-18-32(25,27-14-8-15-28(36)23-27)31(29)33-30(37)17-22-34-19-6-3-7-20-34/h2,4-5,8,11-12,14-15,23,25,29,31,36H,3,6-7,9-10,13,16-22,24H2,1H3,(H,33,37)/t25?,29?,31-,32?/m0/s1
InChIKeyQFMGSPMFDBMUSG-XWZARNBXSA-N
MW503.73 g/mol
LogP5.13
Rot. Bonds9

About N-[(9R)-5-(3-hydroxyphenyl)-4-methyl-2-(3-phenylpropyl)-2-azabicyclo[3.3.1]nonan-9-yl]-3-piperidin-1-ylpropanamide

N-[(9R)-5-(3-hydroxyphenyl)-4-methyl-2-(3-phenylpropyl)-2-azabicyclo[3.3.1]nonan-9-yl]-3-piperidin-1-ylpropanamide (PubChem CID 59061959) has the molecular formula C32H45N3O2 and a molecular weight of 503.73 g/mol. Its IUPAC name is N-[(9R)-5-(3-hydroxyphenyl)-4-methyl-2-(3-phenylpropyl)-2-azabicyclo[3.3.1]nonan-9-yl]-3-piperidin-1-ylpropanamide.

Molecular Properties

Compound NameN-[(9R)-5-(3-hydroxyphenyl)-4-methyl-2-(3-phenylpropyl)-2-azabicyclo[3.3.1]nonan-9-yl]-3-piperidin-1-ylpropanamide
PubChem CID59061959
Molecular FormulaC32H45N3O2
Molecular Weight503.73 g/mol
Exact Mass503.35
IUPAC NameN-[(9R)-5-(3-hydroxyphenyl)-4-methyl-2-(3-phenylpropyl)-2-azabicyclo[3.3.1]nonan-9-yl]-3-piperidin-1-ylpropanamide
SMILESCC1CN(CCCc2ccccc2)C2CCCC1(c1cccc(O)c1)[C@H]2NC(=O)CCN1CCCCC1
InChIInChI=1S/C32H45N3O2/c1-25-24-35(21-10-13-26-11-4-2-5-12-26)29-16-9-18-32(25,27-14-8-15-28(36)23-27)31(29)33-30(37)17-22-34-19-6-3-7-20-34/h2,4-5,8,11-12,14-15,23,25,29,31,36H,3,6-7,9-10,13,16-22,24H2,1H3,(H,33,37)/t25?,29?,31-,32?/m0/s1
InChIKeyQFMGSPMFDBMUSG-XWZARNBXSA-N
XLogP5.13
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500503.73
LogP ≤ 55.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[(9R)-5-(3-hydroxyphenyl)-4-methyl-2-(3-phenylpropyl)-2-azabicyclo[3.3.1]nonan-9-yl]-3-piperidin-1-ylpropanamide 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

N-[(1S,4R,5R,7R)-5-(3-hydroxyphenyl)-4-methyl-2-(3-phenylpropyl)-2-azabicyclo[3.3.1]nonan-7-yl]-3-piperidin-1-ylpropanamide
CID 11733858
N-[(1R,4S,5S,7R)-5-(3-hydroxyphenyl)-4-methyl-2-(3-phenylpropyl)-2-azabicyclo[3.3.1]nonan-7-yl]-3-(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)propanamide;dihydrochloride
CID 11679085
N-[(4aR,6R,8aS)-4a-(3-hydroxyphenyl)-8a-methyl-2-(3-phenylpropyl)-3,4,5,6,7,8-hexahydro-1H-isoquinolin-6-yl]-3-(3,4-dihydro-1H-isoquinolin-2-yl)propanamide
CID 11541920
3-[(3R,4R)-3,4-dimethyl-1-(4-phenylbutyl)piperidin-4-yl]phenol
CID 10382459
1-[(3R,4R)-4-(3-hydroxyphenyl)-3,4-dimethylpiperidin-1-yl]-4-phenylbutan-1-one
CID 10428021
N-[4-hydroxy-4-methyl-2-phenyl-1-(3-phenylpropyl)piperidin-3-yl]cyclopropanecarboxamide
CID 162907254
3-[2-(2-phenylethyl)-3,4,5,6,7,7a-hexahydro-1H-cyclopenta[c]pyridin-4a-yl]phenol;hydrobromide
CID 173433934
N-[(4aR,6R,8aS)-4a-(3-hydroxyphenyl)-8a-methyl-2-(3-phenylpropyl)-3,4,5,6,7,8-hexahydro-1H-isoquinolin-6-yl]acetamide
CID 71217861
3-(2-oxoazepan-1-yl)-N-[1-(3-phenylpropyl)piperidin-3-yl]propanamide
CID 45224965
3-(diaminomethylideneamino)-N-[(1R,4S,5S,7S)-5-(3-hydroxyphenyl)-4-methyl-2-(2-phenylethyl)-2-azabicyclo[3.3.1]nonan-7-yl]propanamide
CID 10895876
N-[4a-(3-hydroxyphenyl)-8a-methoxy-2-methyl-3,4,5,6,7,8-hexahydro-1H-isoquinolin-6-yl]-6-phenylhexanamide
CID 23211772
3-[(1S,9R)-9-(3-hydroxypropyl)-2-(2-phenylethyl)-2-azabicyclo[3.3.1]nonan-5-yl]phenol
CID 155771773

Frequently Asked Questions

What is the IUPAC name of N-[(9R)-5-(3-hydroxyphenyl)-4-methyl-2-(3-phenylpropyl)-2-azabicyclo[3.3.1]nonan-9-yl]-3-piperidin-1-ylpropanamide?
The IUPAC name of N-[(9R)-5-(3-hydroxyphenyl)-4-methyl-2-(3-phenylpropyl)-2-azabicyclo[3.3.1]nonan-9-yl]-3-piperidin-1-ylpropanamide (CID 59061959) is N-[(9R)-5-(3-hydroxyphenyl)-4-methyl-2-(3-phenylpropyl)-2-azabicyclo[3.3.1]nonan-9-yl]-3-piperidin-1-ylpropanamide.
What is the SMILES notation for N-[(9R)-5-(3-hydroxyphenyl)-4-methyl-2-(3-phenylpropyl)-2-azabicyclo[3.3.1]nonan-9-yl]-3-piperidin-1-ylpropanamide?
The canonical SMILES for N-[(9R)-5-(3-hydroxyphenyl)-4-methyl-2-(3-phenylpropyl)-2-azabicyclo[3.3.1]nonan-9-yl]-3-piperidin-1-ylpropanamide is CC1CN(CCCc2ccccc2)C2CCCC1(c1cccc(O)c1)[C@H]2NC(=O)CCN1CCCCC1.
What is the InChIKey of N-[(9R)-5-(3-hydroxyphenyl)-4-methyl-2-(3-phenylpropyl)-2-azabicyclo[3.3.1]nonan-9-yl]-3-piperidin-1-ylpropanamide?
The InChIKey is QFMGSPMFDBMUSG-XWZARNBXSA-N. The full InChI is InChI=1S/C32H45N3O2/c1-25-24-35(21-10-13-26-11-4-2-5-12-26)29-16-9-18-32(25,27-14-8-15-28(36)23-27)31(29)33-30(37)17-22-34-19-6-3-7-20-34/h2,4-5,8,11-12,14-15,23,25,29,31,36H,3,6-7,9-10,13,16-22,24H2,1H3,(H,33,37)/t25?,29?,31-,32?/m0/s1.
What are the key properties of N-[(9R)-5-(3-hydroxyphenyl)-4-methyl-2-(3-phenylpropyl)-2-azabicyclo[3.3.1]nonan-9-yl]-3-piperidin-1-ylpropanamide?
N-[(9R)-5-(3-hydroxyphenyl)-4-methyl-2-(3-phenylpropyl)-2-azabicyclo[3.3.1]nonan-9-yl]-3-piperidin-1-ylpropanamide has a molecular weight of 503.73 g/mol, XLogP of 5.13, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(9R)-5-(3-hydroxyphenyl)-4-methyl-2-(3-phenylpropyl)-2-azabicyclo[3.3.1]nonan-9-yl]-3-piperidin-1-ylpropanamide is sourced from PubChem (CID 59061959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).