(1S,6R)-N-[(1S)-4-methoxy-2,3-dihydro-1H-inden-1-yl]-9-methyl-3,9-diazabicyclo[4.2.1]nonane-3-carboxamide

C19H27N3O2 — CID 100877000

IUPAC(1S,6R)-N-[(1S)-4-methoxy-2,3-dihydro-1H-inden-1-yl]-9-methyl-3,9-diazabicyclo[4.2.1]nonane-3-carboxamide
SMILESCOc1cccc2c1CC[C@@H]2NC(=O)N1CC[C@H]2CC[C@@H](C1)N2C
InChIInChI=1S/C19H27N3O2/c1-21-13-6-7-14(21)12-22(11-10-13)19(23)20-17-9-8-16-15(17)4-3-5-18(16)24-2/h3-5,13-14,17H,6-12H2,1-2H3,(H,20,23)/t13-,14+,17+/m1/s1
InChIKeyAKOITJFHVGGYHD-KEYYUXOJSA-N
MW329.44 g/mol
LogP2.56
Rot. Bonds2

About (1S,6R)-N-[(1S)-4-methoxy-2,3-dihydro-1H-inden-1-yl]-9-methyl-3,9-diazabicyclo[4.2.1]nonane-3-carboxamide

(1S,6R)-N-[(1S)-4-methoxy-2,3-dihydro-1H-inden-1-yl]-9-methyl-3,9-diazabicyclo[4.2.1]nonane-3-carboxamide (PubChem CID 100877000) has the molecular formula C19H27N3O2 and a molecular weight of 329.44 g/mol. Its IUPAC name is (1S,6R)-N-[(1S)-4-methoxy-2,3-dihydro-1H-inden-1-yl]-9-methyl-3,9-diazabicyclo[4.2.1]nonane-3-carboxamide.

Molecular Properties

Compound Name(1S,6R)-N-[(1S)-4-methoxy-2,3-dihydro-1H-inden-1-yl]-9-methyl-3,9-diazabicyclo[4.2.1]nonane-3-carboxamide
PubChem CID100877000
Molecular FormulaC19H27N3O2
Molecular Weight329.44 g/mol
Exact Mass329.21
IUPAC Name(1S,6R)-N-[(1S)-4-methoxy-2,3-dihydro-1H-inden-1-yl]-9-methyl-3,9-diazabicyclo[4.2.1]nonane-3-carboxamide
SMILESCOc1cccc2c1CC[C@@H]2NC(=O)N1CC[C@H]2CC[C@@H](C1)N2C
InChIInChI=1S/C19H27N3O2/c1-21-13-6-7-14(21)12-22(11-10-13)19(23)20-17-9-8-16-15(17)4-3-5-18(16)24-2/h3-5,13-14,17H,6-12H2,1-2H3,(H,20,23)/t13-,14+,17+/m1/s1
InChIKeyAKOITJFHVGGYHD-KEYYUXOJSA-N
XLogP2.56
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.44
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (1S,6R)-N-[(1S)-4-methoxy-2,3-dihydro-1H-inden-1-yl]-9-methyl-3,9-diazabicyclo[4.2.1]nonane-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of (1S,6R)-N-[(1S)-4-methoxy-2,3-dihydro-1H-inden-1-yl]-9-methyl-3,9-diazabicyclo[4.2.1]nonane-3-carboxamide?
The IUPAC name of (1S,6R)-N-[(1S)-4-methoxy-2,3-dihydro-1H-inden-1-yl]-9-methyl-3,9-diazabicyclo[4.2.1]nonane-3-carboxamide (CID 100877000) is (1S,6R)-N-[(1S)-4-methoxy-2,3-dihydro-1H-inden-1-yl]-9-methyl-3,9-diazabicyclo[4.2.1]nonane-3-carboxamide.
What is the SMILES notation for (1S,6R)-N-[(1S)-4-methoxy-2,3-dihydro-1H-inden-1-yl]-9-methyl-3,9-diazabicyclo[4.2.1]nonane-3-carboxamide?
The canonical SMILES for (1S,6R)-N-[(1S)-4-methoxy-2,3-dihydro-1H-inden-1-yl]-9-methyl-3,9-diazabicyclo[4.2.1]nonane-3-carboxamide is COc1cccc2c1CC[C@@H]2NC(=O)N1CC[C@H]2CC[C@@H](C1)N2C.
What is the InChIKey of (1S,6R)-N-[(1S)-4-methoxy-2,3-dihydro-1H-inden-1-yl]-9-methyl-3,9-diazabicyclo[4.2.1]nonane-3-carboxamide?
The InChIKey is AKOITJFHVGGYHD-KEYYUXOJSA-N. The full InChI is InChI=1S/C19H27N3O2/c1-21-13-6-7-14(21)12-22(11-10-13)19(23)20-17-9-8-16-15(17)4-3-5-18(16)24-2/h3-5,13-14,17H,6-12H2,1-2H3,(H,20,23)/t13-,14+,17+/m1/s1.
What are the key properties of (1S,6R)-N-[(1S)-4-methoxy-2,3-dihydro-1H-inden-1-yl]-9-methyl-3,9-diazabicyclo[4.2.1]nonane-3-carboxamide?
(1S,6R)-N-[(1S)-4-methoxy-2,3-dihydro-1H-inden-1-yl]-9-methyl-3,9-diazabicyclo[4.2.1]nonane-3-carboxamide has a molecular weight of 329.44 g/mol, XLogP of 2.56, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,6R)-N-[(1S)-4-methoxy-2,3-dihydro-1H-inden-1-yl]-9-methyl-3,9-diazabicyclo[4.2.1]nonane-3-carboxamide is sourced from PubChem (CID 100877000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).