N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-5-(hydroxymethyl)-2,3-dihydro-1H-indene-4-carboxamide

C18H24N2O2 — CID 18651162

IUPACN-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-5-(hydroxymethyl)-2,3-dihydro-1H-indene-4-carboxamide
SMILESO=C(N[C@H]1CN2CCC1CC2)c1c(CO)ccc2c1CCC2
InChIInChI=1S/C18H24N2O2/c21-11-14-5-4-12-2-1-3-15(12)17(14)18(22)19-16-10-20-8-6-13(16)7-9-20/h4-5,13,16,21H,1-3,6-11H2,(H,19,22)/t16-/m0/s1
InChIKeyPMTHIFJCPIYUKY-INIZCTEOSA-N
MW300.40 g/mol
LogP1.49
Rot. Bonds3

About N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-5-(hydroxymethyl)-2,3-dihydro-1H-indene-4-carboxamide

N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-5-(hydroxymethyl)-2,3-dihydro-1H-indene-4-carboxamide (PubChem CID 18651162) has the molecular formula C18H24N2O2 and a molecular weight of 300.40 g/mol. Its IUPAC name is N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-5-(hydroxymethyl)-2,3-dihydro-1H-indene-4-carboxamide.

Molecular Properties

Compound NameN-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-5-(hydroxymethyl)-2,3-dihydro-1H-indene-4-carboxamide
PubChem CID18651162
Molecular FormulaC18H24N2O2
Molecular Weight300.40 g/mol
Exact Mass300.18
IUPAC NameN-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-5-(hydroxymethyl)-2,3-dihydro-1H-indene-4-carboxamide
SMILESO=C(N[C@H]1CN2CCC1CC2)c1c(CO)ccc2c1CCC2
InChIInChI=1S/C18H24N2O2/c21-11-14-5-4-12-2-1-3-15(12)17(14)18(22)19-16-10-20-8-6-13(16)7-9-20/h4-5,13,16,21H,1-3,6-11H2,(H,19,22)/t16-/m0/s1
InChIKeyPMTHIFJCPIYUKY-INIZCTEOSA-N
XLogP1.49
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-5-(hydroxymethyl)-2,3-dihydro-1H-indene-4-carboxamide?
The IUPAC name of N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-5-(hydroxymethyl)-2,3-dihydro-1H-indene-4-carboxamide (CID 18651162) is N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-5-(hydroxymethyl)-2,3-dihydro-1H-indene-4-carboxamide.
What is the SMILES notation for N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-5-(hydroxymethyl)-2,3-dihydro-1H-indene-4-carboxamide?
The canonical SMILES for N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-5-(hydroxymethyl)-2,3-dihydro-1H-indene-4-carboxamide is O=C(N[C@H]1CN2CCC1CC2)c1c(CO)ccc2c1CCC2.
What is the InChIKey of N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-5-(hydroxymethyl)-2,3-dihydro-1H-indene-4-carboxamide?
The InChIKey is PMTHIFJCPIYUKY-INIZCTEOSA-N. The full InChI is InChI=1S/C18H24N2O2/c21-11-14-5-4-12-2-1-3-15(12)17(14)18(22)19-16-10-20-8-6-13(16)7-9-20/h4-5,13,16,21H,1-3,6-11H2,(H,19,22)/t16-/m0/s1.
What are the key properties of N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-5-(hydroxymethyl)-2,3-dihydro-1H-indene-4-carboxamide?
N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-5-(hydroxymethyl)-2,3-dihydro-1H-indene-4-carboxamide has a molecular weight of 300.40 g/mol, XLogP of 1.49, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-5-(hydroxymethyl)-2,3-dihydro-1H-indene-4-carboxamide is sourced from PubChem (CID 18651162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).