N-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]-5-hydroxy-5,6,7,8-tetrahydronaphthalene-1-carboxamide

C18H24N2O2 — CID 22858928

IUPACN-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]-5-hydroxy-5,6,7,8-tetrahydronaphthalene-1-carboxamide
SMILESO=C(N[C@@H]1CN2CCC1CC2)c1cccc2c1CCCC2O
InChIInChI=1S/C18H24N2O2/c21-17-6-2-3-13-14(17)4-1-5-15(13)18(22)19-16-11-20-9-7-12(16)8-10-20/h1,4-5,12,16-17,21H,2-3,6-11H2,(H,19,22)/t16-,17?/m1/s1
InChIKeyBVHHDPMQRGTENJ-TZHYSIJRSA-N
MW300.40 g/mol
LogP1.88
Rot. Bonds2

About N-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]-5-hydroxy-5,6,7,8-tetrahydronaphthalene-1-carboxamide

N-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]-5-hydroxy-5,6,7,8-tetrahydronaphthalene-1-carboxamide (PubChem CID 22858928) has the molecular formula C18H24N2O2 and a molecular weight of 300.40 g/mol. Its IUPAC name is N-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]-5-hydroxy-5,6,7,8-tetrahydronaphthalene-1-carboxamide.

Molecular Properties

Compound NameN-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]-5-hydroxy-5,6,7,8-tetrahydronaphthalene-1-carboxamide
PubChem CID22858928
Molecular FormulaC18H24N2O2
Molecular Weight300.40 g/mol
Exact Mass300.18
IUPAC NameN-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]-5-hydroxy-5,6,7,8-tetrahydronaphthalene-1-carboxamide
SMILESO=C(N[C@@H]1CN2CCC1CC2)c1cccc2c1CCCC2O
InChIInChI=1S/C18H24N2O2/c21-17-6-2-3-13-14(17)4-1-5-15(13)18(22)19-16-11-20-9-7-12(16)8-10-20/h1,4-5,12,16-17,21H,2-3,6-11H2,(H,19,22)/t16-,17?/m1/s1
InChIKeyBVHHDPMQRGTENJ-TZHYSIJRSA-N
XLogP1.88
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]-5-hydroxy-5,6,7,8-tetrahydronaphthalene-1-carboxamide 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-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-(hydroxymethyl)benzamide
CID 117685837
(6S)-Hydroxy (S,S)-Palonosetron
CID 22858927
3-[(4-fluorophenyl)-hydroxymethyl]-N-[(1-propan-2-ylpiperidin-3-yl)methyl]benzamide
CID 53464522
(6R)-Hydroxy (S,S)-Palonosetron
CID 9904881
2-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]-3-hydroxy-3a,4,5,6-tetrahydro-3H-benzo[de]isoquinolin-1-one
CID 11012417
(3S)-2-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]-3-hydroxy-3a,4,5,6-tetrahydro-3H-benzo[de]isoquinolin-1-one
CID 11066941
3-(hydroxymethyl)-N-[[3-[3-(piperazin-1-ylmethyl)phenyl]phenyl]methyl]benzamide
CID 11418589
N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-5-(hydroxymethyl)-2,3-dihydro-1H-indene-4-carboxamide
CID 18651162
N-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]-5-(hydroxymethyl)-2,3-dihydro-1H-indene-4-carboxamide
CID 18651163
N-[[5-hydroxy-6-[2-(4-phenylpiperidin-1-yl)ethyl]-5,6,7,8-tetrahydronaphthalen-2-yl]methyl]benzamide
CID 18794695
2-(1-azabicyclo[2.2.2]octan-3-yl)-6-hydroxy-3a,4,5,6-tetrahydro-3H-benzo[de]isoquinolin-1-one
CID 18987128
2-(1-azabicyclo[2.2.2]octan-3-yl)-6-hydroxy-5,6-dihydro-4H-benzo[de]isoquinolin-1-one
CID 18987130

Frequently Asked Questions

What is the IUPAC name of N-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]-5-hydroxy-5,6,7,8-tetrahydronaphthalene-1-carboxamide?
The IUPAC name of N-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]-5-hydroxy-5,6,7,8-tetrahydronaphthalene-1-carboxamide (CID 22858928) is N-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]-5-hydroxy-5,6,7,8-tetrahydronaphthalene-1-carboxamide.
What is the SMILES notation for N-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]-5-hydroxy-5,6,7,8-tetrahydronaphthalene-1-carboxamide?
The canonical SMILES for N-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]-5-hydroxy-5,6,7,8-tetrahydronaphthalene-1-carboxamide is O=C(N[C@@H]1CN2CCC1CC2)c1cccc2c1CCCC2O.
What is the InChIKey of N-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]-5-hydroxy-5,6,7,8-tetrahydronaphthalene-1-carboxamide?
The InChIKey is BVHHDPMQRGTENJ-TZHYSIJRSA-N. The full InChI is InChI=1S/C18H24N2O2/c21-17-6-2-3-13-14(17)4-1-5-15(13)18(22)19-16-11-20-9-7-12(16)8-10-20/h1,4-5,12,16-17,21H,2-3,6-11H2,(H,19,22)/t16-,17?/m1/s1.
What are the key properties of N-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]-5-hydroxy-5,6,7,8-tetrahydronaphthalene-1-carboxamide?
N-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]-5-hydroxy-5,6,7,8-tetrahydronaphthalene-1-carboxamide has a molecular weight of 300.40 g/mol, XLogP of 1.88, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]-5-hydroxy-5,6,7,8-tetrahydronaphthalene-1-carboxamide is sourced from PubChem (CID 22858928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).