N-cyclopropyl-2-[(1R,5S)-3-[(4-methoxyphenyl)methyl]-3,6-diazabicyclo[3.2.2]nonan-6-yl]acetamide

C20H29N3O2 — CID 133117353

IUPACN-cyclopropyl-2-[(1R,5S)-3-[(4-methoxyphenyl)methyl]-3,6-diazabicyclo[3.2.2]nonan-6-yl]acetamide
SMILESCOc1ccc(CN2C[C@H]3CC[C@@H](C2)N(CC(=O)NC2CC2)C3)cc1
InChIInChI=1S/C20H29N3O2/c1-25-19-8-3-15(4-9-19)10-22-11-16-2-7-18(13-22)23(12-16)14-20(24)21-17-5-6-17/h3-4,8-9,16-18H,2,5-7,10-14H2,1H3,(H,21,24)/t16-,18+/m1/s1
InChIKeyDXFURSZCECANAJ-AEFFLSMTSA-N
MW343.47 g/mol
LogP1.87
Rot. Bonds6

About N-cyclopropyl-2-[(1R,5S)-3-[(4-methoxyphenyl)methyl]-3,6-diazabicyclo[3.2.2]nonan-6-yl]acetamide

N-cyclopropyl-2-[(1R,5S)-3-[(4-methoxyphenyl)methyl]-3,6-diazabicyclo[3.2.2]nonan-6-yl]acetamide (PubChem CID 133117353) has the molecular formula C20H29N3O2 and a molecular weight of 343.47 g/mol. Its IUPAC name is N-cyclopropyl-2-[(1R,5S)-3-[(4-methoxyphenyl)methyl]-3,6-diazabicyclo[3.2.2]nonan-6-yl]acetamide.

Molecular Properties

Compound NameN-cyclopropyl-2-[(1R,5S)-3-[(4-methoxyphenyl)methyl]-3,6-diazabicyclo[3.2.2]nonan-6-yl]acetamide
PubChem CID133117353
Molecular FormulaC20H29N3O2
Molecular Weight343.47 g/mol
Exact Mass343.23
IUPAC NameN-cyclopropyl-2-[(1R,5S)-3-[(4-methoxyphenyl)methyl]-3,6-diazabicyclo[3.2.2]nonan-6-yl]acetamide
SMILESCOc1ccc(CN2C[C@H]3CC[C@@H](C2)N(CC(=O)NC2CC2)C3)cc1
InChIInChI=1S/C20H29N3O2/c1-25-19-8-3-15(4-9-19)10-22-11-16-2-7-18(13-22)23(12-16)14-20(24)21-17-5-6-17/h3-4,8-9,16-18H,2,5-7,10-14H2,1H3,(H,21,24)/t16-,18+/m1/s1
InChIKeyDXFURSZCECANAJ-AEFFLSMTSA-N
XLogP1.87
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.47
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(1R,5S)-3-[(4-methoxyphenyl)methyl]-3,6-diazabicyclo[3.2.2]nonan-6-yl]-3-methylsulfanylpropan-1-one
CID 133111085
(1S,5R)-3-[(4-methoxyphenyl)methyl]-6-[(2-methylsulfanylphenyl)methyl]-3,6-diazabicyclo[3.2.2]nonane
CID 72883178
[5-(hydroxymethyl)furan-2-yl]-[(1R,5S)-3-[(4-methoxyphenyl)methyl]-3,6-diazabicyclo[3.2.2]nonan-6-yl]methanone
CID 133128720
5-methoxy-2-[[(1S,5R)-3-[(4-methoxyphenyl)methyl]-3,6-diazabicyclo[3.2.2]nonan-6-yl]methyl]pyran-4-one
CID 72941110
1-[(1R,5S)-3-[(4-methoxyphenyl)methyl]-3,6-diazabicyclo[3.2.2]nonan-6-yl]-2-phenoxyethanone
CID 133113988
[(1S,5R)-3-[(4-methoxyphenyl)methyl]-3,6-diazabicyclo[3.2.2]nonan-6-yl]-morpholin-4-ylmethanone
CID 72844129
1-[(1S,5R)-3-[(4-methoxyphenyl)methyl]-3,6-diazabicyclo[3.2.2]nonan-6-yl]-2-phenoxyethanone
CID 72899265
[(1S,5R)-3-azabicyclo[3.1.0]hexan-6-yl]-[(1S,5R)-3-[(4-methoxyphenyl)methyl]-3,6-diazabicyclo[3.2.2]nonan-6-yl]methanone;dihydrochloride
CID 154898848
3-[2-[(1R,5S)-3-[(4-methoxyphenyl)methyl]-3,6-diazabicyclo[3.2.2]nonan-6-yl]-2-oxoethyl]-1,3-oxazolidin-2-one
CID 133127276
methyl (1R,5S)-3-[(4-fluorophenyl)methyl]-3,6-diazabicyclo[3.2.2]nonane-6-carboxylate
CID 133123717
[(1R,5S)-3-[(4-methoxyphenyl)methyl]-3,6-diazabicyclo[3.2.2]nonan-6-yl]-(1H-pyrazol-5-yl)methanone
CID 133118274
(1S,5R)-3-[(4-methoxyphenyl)methyl]-6-[(5-methyl-1-prop-2-enylpyrazol-4-yl)methyl]-3,6-diazabicyclo[3.2.2]nonane
CID 72882613

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-[(1R,5S)-3-[(4-methoxyphenyl)methyl]-3,6-diazabicyclo[3.2.2]nonan-6-yl]acetamide?
The IUPAC name of N-cyclopropyl-2-[(1R,5S)-3-[(4-methoxyphenyl)methyl]-3,6-diazabicyclo[3.2.2]nonan-6-yl]acetamide (CID 133117353) is N-cyclopropyl-2-[(1R,5S)-3-[(4-methoxyphenyl)methyl]-3,6-diazabicyclo[3.2.2]nonan-6-yl]acetamide.
What is the SMILES notation for N-cyclopropyl-2-[(1R,5S)-3-[(4-methoxyphenyl)methyl]-3,6-diazabicyclo[3.2.2]nonan-6-yl]acetamide?
The canonical SMILES for N-cyclopropyl-2-[(1R,5S)-3-[(4-methoxyphenyl)methyl]-3,6-diazabicyclo[3.2.2]nonan-6-yl]acetamide is COc1ccc(CN2C[C@H]3CC[C@@H](C2)N(CC(=O)NC2CC2)C3)cc1.
What is the InChIKey of N-cyclopropyl-2-[(1R,5S)-3-[(4-methoxyphenyl)methyl]-3,6-diazabicyclo[3.2.2]nonan-6-yl]acetamide?
The InChIKey is DXFURSZCECANAJ-AEFFLSMTSA-N. The full InChI is InChI=1S/C20H29N3O2/c1-25-19-8-3-15(4-9-19)10-22-11-16-2-7-18(13-22)23(12-16)14-20(24)21-17-5-6-17/h3-4,8-9,16-18H,2,5-7,10-14H2,1H3,(H,21,24)/t16-,18+/m1/s1.
What are the key properties of N-cyclopropyl-2-[(1R,5S)-3-[(4-methoxyphenyl)methyl]-3,6-diazabicyclo[3.2.2]nonan-6-yl]acetamide?
N-cyclopropyl-2-[(1R,5S)-3-[(4-methoxyphenyl)methyl]-3,6-diazabicyclo[3.2.2]nonan-6-yl]acetamide has a molecular weight of 343.47 g/mol, XLogP of 1.87, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-[(1R,5S)-3-[(4-methoxyphenyl)methyl]-3,6-diazabicyclo[3.2.2]nonan-6-yl]acetamide is sourced from PubChem (CID 133117353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).