N-(1-adamantyl)-2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]acetamide

C19H32N2O — CID 8930212

IUPACN-(1-adamantyl)-2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]acetamide
SMILESC[C@H]1C[C@H](C)CN(CC(=O)NC23CC4CC(CC(C4)C2)C3)C1
InChIInChI=1S/C19H32N2O/c1-13-3-14(2)11-21(10-13)12-18(22)20-19-7-15-4-16(8-19)6-17(5-15)9-19/h13-17H,3-12H2,1-2H3,(H,20,22)/t13-,14-,15?,16?,17?,19?/m0/s1
InChIKeyXCVDHMLKBXYZHN-ZZNOFCQSSA-N
MW304.48 g/mol
LogP3.05
Rot. Bonds3

About N-(1-adamantyl)-2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]acetamide

N-(1-adamantyl)-2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]acetamide (PubChem CID 8930212) has the molecular formula C19H32N2O and a molecular weight of 304.48 g/mol. Its IUPAC name is N-(1-adamantyl)-2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(1-adamantyl)-2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]acetamide
PubChem CID8930212
Molecular FormulaC19H32N2O
Molecular Weight304.48 g/mol
Exact Mass304.25
IUPAC NameN-(1-adamantyl)-2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]acetamide
SMILESC[C@H]1C[C@H](C)CN(CC(=O)NC23CC4CC(CC(C4)C2)C3)C1
InChIInChI=1S/C19H32N2O/c1-13-3-14(2)11-21(10-13)12-18(22)20-19-7-15-4-16(8-19)6-17(5-15)9-19/h13-17H,3-12H2,1-2H3,(H,20,22)/t13-,14-,15?,16?,17?,19?/m0/s1
InChIKeyXCVDHMLKBXYZHN-ZZNOFCQSSA-N
XLogP3.05
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.48
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(1-adamantyl)-2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]acetamide?
The IUPAC name of N-(1-adamantyl)-2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]acetamide (CID 8930212) is N-(1-adamantyl)-2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]acetamide.
What is the SMILES notation for N-(1-adamantyl)-2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]acetamide?
The canonical SMILES for N-(1-adamantyl)-2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]acetamide is C[C@H]1C[C@H](C)CN(CC(=O)NC23CC4CC(CC(C4)C2)C3)C1.
What is the InChIKey of N-(1-adamantyl)-2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]acetamide?
The InChIKey is XCVDHMLKBXYZHN-ZZNOFCQSSA-N. The full InChI is InChI=1S/C19H32N2O/c1-13-3-14(2)11-21(10-13)12-18(22)20-19-7-15-4-16(8-19)6-17(5-15)9-19/h13-17H,3-12H2,1-2H3,(H,20,22)/t13-,14-,15?,16?,17?,19?/m0/s1.
What are the key properties of N-(1-adamantyl)-2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]acetamide?
N-(1-adamantyl)-2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]acetamide has a molecular weight of 304.48 g/mol, XLogP of 3.05, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-adamantyl)-2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]acetamide is sourced from PubChem (CID 8930212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).