N-[[(1S,5S,6R,7R)-3-[(1,4-dimethylpiperidin-4-yl)methyl]-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]cyclobutanecarboxamide

C22H37N3O2 — CID 155496628

IUPACN-[[(1S,5S,6R,7R)-3-[(1,4-dimethylpiperidin-4-yl)methyl]-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]cyclobutanecarboxamide
SMILESCN1CCC(C)(CN2C[C@@H]3[C@H](CNC(=O)C4CCC4)[C@H]4CC[C@]3(C2)O4)CC1
InChIInChI=1S/C22H37N3O2/c1-21(8-10-24(2)11-9-21)14-25-13-18-17(12-23-20(26)16-4-3-5-16)19-6-7-22(18,15-25)27-19/h16-19H,3-15H2,1-2H3,(H,23,26)/t17-,18+,19+,22+/m0/s1
InChIKeyNJHGSEQHSYDSRS-JZJXAQOMSA-N
MW375.56 g/mol
LogP2.11
Rot. Bonds5

About N-[[(1S,5S,6R,7R)-3-[(1,4-dimethylpiperidin-4-yl)methyl]-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]cyclobutanecarboxamide

N-[[(1S,5S,6R,7R)-3-[(1,4-dimethylpiperidin-4-yl)methyl]-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]cyclobutanecarboxamide (PubChem CID 155496628) has the molecular formula C22H37N3O2 and a molecular weight of 375.56 g/mol. Its IUPAC name is N-[[(1S,5S,6R,7R)-3-[(1,4-dimethylpiperidin-4-yl)methyl]-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]cyclobutanecarboxamide.

Molecular Properties

Compound NameN-[[(1S,5S,6R,7R)-3-[(1,4-dimethylpiperidin-4-yl)methyl]-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]cyclobutanecarboxamide
PubChem CID155496628
Molecular FormulaC22H37N3O2
Molecular Weight375.56 g/mol
Exact Mass375.29
IUPAC NameN-[[(1S,5S,6R,7R)-3-[(1,4-dimethylpiperidin-4-yl)methyl]-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]cyclobutanecarboxamide
SMILESCN1CCC(C)(CN2C[C@@H]3[C@H](CNC(=O)C4CCC4)[C@H]4CC[C@]3(C2)O4)CC1
InChIInChI=1S/C22H37N3O2/c1-21(8-10-24(2)11-9-21)14-25-13-18-17(12-23-20(26)16-4-3-5-16)19-6-7-22(18,15-25)27-19/h16-19H,3-15H2,1-2H3,(H,23,26)/t17-,18+,19+,22+/m0/s1
InChIKeyNJHGSEQHSYDSRS-JZJXAQOMSA-N
XLogP2.11
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.56
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[[(1S,5S,6R,7R)-3-[(1,4-dimethylpiperidin-4-yl)methyl]-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]cyclobutanecarboxamide with MolForge

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Related Compounds

N-[[(1S,5S,6R,7R)-3-(3-methylbut-2-enyl)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]cyclobutanecarboxamide
CID 154823691
N-[[(1S,5S,6R,7R)-3-[2-(ethylamino)-2-oxoethyl]-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]cycloheptanecarboxamide
CID 155493196
N-[[(1S,5S,6R,7R)-3-[(5-chlorofuran-2-yl)methyl]-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]cyclobutanecarboxamide
CID 155506065
N-[[(1S,5S,6R,7R)-3-[(2-methylphenyl)methyl]-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]cyclobutanecarboxamide
CID 155492521
N-[[(1S,5S,6R,7R)-3-[(3,4-dimethylphenyl)methyl]-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]cyclobutanecarboxamide;formic acid
CID 155940572
N-[[(1S,5S,6R,7R)-3-(6-ethyl-5-fluoropyrimidin-4-yl)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]cyclobutanecarboxamide
CID 155493206
N-[[(1S,5S,6R,7R)-3-cyclohexyl-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]-2,2,3,3-tetramethylcyclopropane-1-carboxamide
CID 155498761
N-[[(1S,5S,6R,7R)-3-(3-methyl-4-pyridinyl)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]cyclobutanecarboxamide
CID 155502999
N-[[(1S,5S,6R,7R)-3-[(E)-3-phenylprop-2-enyl]-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]cyclopropanecarboxamide
CID 155509045
2,2,3,3-tetramethyl-N-[[(1S,5S,6R,7R)-3-methylsulfonyl-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]cyclopropane-1-carboxamide
CID 155501296
N-[[(1S,5S,6R,7R)-3-cyclopentyl-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]-2,3-dihydro-1H-indene-2-carboxamide
CID 155505641
N-[[(1S,5S,6R,7R)-3-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine-3-carbonyl)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]cyclopropanecarboxamide
CID 166623114

Frequently Asked Questions

What is the IUPAC name of N-[[(1S,5S,6R,7R)-3-[(1,4-dimethylpiperidin-4-yl)methyl]-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]cyclobutanecarboxamide?
The IUPAC name of N-[[(1S,5S,6R,7R)-3-[(1,4-dimethylpiperidin-4-yl)methyl]-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]cyclobutanecarboxamide (CID 155496628) is N-[[(1S,5S,6R,7R)-3-[(1,4-dimethylpiperidin-4-yl)methyl]-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]cyclobutanecarboxamide.
What is the SMILES notation for N-[[(1S,5S,6R,7R)-3-[(1,4-dimethylpiperidin-4-yl)methyl]-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]cyclobutanecarboxamide?
The canonical SMILES for N-[[(1S,5S,6R,7R)-3-[(1,4-dimethylpiperidin-4-yl)methyl]-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]cyclobutanecarboxamide is CN1CCC(C)(CN2C[C@@H]3[C@H](CNC(=O)C4CCC4)[C@H]4CC[C@]3(C2)O4)CC1.
What is the InChIKey of N-[[(1S,5S,6R,7R)-3-[(1,4-dimethylpiperidin-4-yl)methyl]-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]cyclobutanecarboxamide?
The InChIKey is NJHGSEQHSYDSRS-JZJXAQOMSA-N. The full InChI is InChI=1S/C22H37N3O2/c1-21(8-10-24(2)11-9-21)14-25-13-18-17(12-23-20(26)16-4-3-5-16)19-6-7-22(18,15-25)27-19/h16-19H,3-15H2,1-2H3,(H,23,26)/t17-,18+,19+,22+/m0/s1.
What are the key properties of N-[[(1S,5S,6R,7R)-3-[(1,4-dimethylpiperidin-4-yl)methyl]-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]cyclobutanecarboxamide?
N-[[(1S,5S,6R,7R)-3-[(1,4-dimethylpiperidin-4-yl)methyl]-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]cyclobutanecarboxamide has a molecular weight of 375.56 g/mol, XLogP of 2.11, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(1S,5S,6R,7R)-3-[(1,4-dimethylpiperidin-4-yl)methyl]-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]cyclobutanecarboxamide is sourced from PubChem (CID 155496628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).