N-(1-adamantyl)-2-[(3S)-3-methylpiperidin-1-yl]acetamide

C18H30N2O — CID 8903450

IUPACN-(1-adamantyl)-2-[(3S)-3-methylpiperidin-1-yl]acetamide
SMILESC[C@H]1CCCN(CC(=O)NC23CC4CC(CC(C4)C2)C3)C1
InChIInChI=1S/C18H30N2O/c1-13-3-2-4-20(11-13)12-17(21)19-18-8-14-5-15(9-18)7-16(6-14)10-18/h13-16H,2-12H2,1H3,(H,19,21)/t13-,14?,15?,16?,18?/m0/s1
InChIKeyZQWUDUFRUVSZNK-IILDEKEXSA-N
MW290.45 g/mol
LogP2.80
Rot. Bonds3

About N-(1-adamantyl)-2-[(3S)-3-methylpiperidin-1-yl]acetamide

N-(1-adamantyl)-2-[(3S)-3-methylpiperidin-1-yl]acetamide (PubChem CID 8903450) has the molecular formula C18H30N2O and a molecular weight of 290.45 g/mol. Its IUPAC name is N-(1-adamantyl)-2-[(3S)-3-methylpiperidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(1-adamantyl)-2-[(3S)-3-methylpiperidin-1-yl]acetamide
PubChem CID8903450
Molecular FormulaC18H30N2O
Molecular Weight290.45 g/mol
Exact Mass290.24
IUPAC NameN-(1-adamantyl)-2-[(3S)-3-methylpiperidin-1-yl]acetamide
SMILESC[C@H]1CCCN(CC(=O)NC23CC4CC(CC(C4)C2)C3)C1
InChIInChI=1S/C18H30N2O/c1-13-3-2-4-20(11-13)12-17(21)19-18-8-14-5-15(9-18)7-16(6-14)10-18/h13-16H,2-12H2,1H3,(H,19,21)/t13-,14?,15?,16?,18?/m0/s1
InChIKeyZQWUDUFRUVSZNK-IILDEKEXSA-N
XLogP2.80
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.45
LogP ≤ 52.80
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)-3-methylpiperidin-1-yl]acetamide?
The IUPAC name of N-(1-adamantyl)-2-[(3S)-3-methylpiperidin-1-yl]acetamide (CID 8903450) is N-(1-adamantyl)-2-[(3S)-3-methylpiperidin-1-yl]acetamide.
What is the SMILES notation for N-(1-adamantyl)-2-[(3S)-3-methylpiperidin-1-yl]acetamide?
The canonical SMILES for N-(1-adamantyl)-2-[(3S)-3-methylpiperidin-1-yl]acetamide is C[C@H]1CCCN(CC(=O)NC23CC4CC(CC(C4)C2)C3)C1.
What is the InChIKey of N-(1-adamantyl)-2-[(3S)-3-methylpiperidin-1-yl]acetamide?
The InChIKey is ZQWUDUFRUVSZNK-IILDEKEXSA-N. The full InChI is InChI=1S/C18H30N2O/c1-13-3-2-4-20(11-13)12-17(21)19-18-8-14-5-15(9-18)7-16(6-14)10-18/h13-16H,2-12H2,1H3,(H,19,21)/t13-,14?,15?,16?,18?/m0/s1.
What are the key properties of N-(1-adamantyl)-2-[(3S)-3-methylpiperidin-1-yl]acetamide?
N-(1-adamantyl)-2-[(3S)-3-methylpiperidin-1-yl]acetamide has a molecular weight of 290.45 g/mol, XLogP of 2.80, 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)-3-methylpiperidin-1-yl]acetamide is sourced from PubChem (CID 8903450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).