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

C19H32N2O — CID 8583065

IUPACN-(1-adamantylmethyl)-2-[(2S)-2-methylpiperidin-1-yl]acetamide
SMILESC[C@H]1CCCCN1CC(=O)NCC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C19H32N2O/c1-14-4-2-3-5-21(14)12-18(22)20-13-19-9-15-6-16(10-19)8-17(7-15)11-19/h14-17H,2-13H2,1H3,(H,20,22)/t14-,15?,16?,17?,19?/m0/s1
InChIKeyCVNJBMJRMCHCEW-ISOUWHGUSA-N
MW304.48 g/mol
LogP3.19
Rot. Bonds4

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

N-(1-adamantylmethyl)-2-[(2S)-2-methylpiperidin-1-yl]acetamide (PubChem CID 8583065) has the molecular formula C19H32N2O and a molecular weight of 304.48 g/mol. Its IUPAC name is N-(1-adamantylmethyl)-2-[(2S)-2-methylpiperidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(1-adamantylmethyl)-2-[(2S)-2-methylpiperidin-1-yl]acetamide
PubChem CID8583065
Molecular FormulaC19H32N2O
Molecular Weight304.48 g/mol
Exact Mass304.25
IUPAC NameN-(1-adamantylmethyl)-2-[(2S)-2-methylpiperidin-1-yl]acetamide
SMILESC[C@H]1CCCCN1CC(=O)NCC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C19H32N2O/c1-14-4-2-3-5-21(14)12-18(22)20-13-19-9-15-6-16(10-19)8-17(7-15)11-19/h14-17H,2-13H2,1H3,(H,20,22)/t14-,15?,16?,17?,19?/m0/s1
InChIKeyCVNJBMJRMCHCEW-ISOUWHGUSA-N
XLogP3.19
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.48
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1-adamantylmethyl)-2-methylpiperidine-1-carboxamide
CID 108870375
N-[[(5R,7R)-3-bromo-1-adamantyl]methyl]-2-[(2R)-2-[(1R)-1-hydroxyethyl]piperidin-1-yl]acetamide
CID 124857570
N-(3-hydrazinyl-3-oxo(113C)propyl)-2-[(2S)-2-(113C)methyl(115N)azinan-1-yl]acetamide
CID 123460934
N-(ethylcarbamoyl)-2-[(2S)-2-methylpiperidin-1-yl]acetamide
CID 8583077
2-[(2S)-2-methylpiperidin-1-yl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 51980847
N-[(4-chlorophenyl)methyl]-2-[(2R)-2-methylpiperidin-1-yl]acetamide
CID 2421761
2-(2-methylpiperidin-1-yl)-N-[(5S,7R)-3-phenyl-1-adamantyl]acetamide
CID 69020441
N-(1-adamantylmethyl)-3-(cyclopropylamino)propanamide
CID 61259809
N-(1-adamantylmethyl)-2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetamide
CID 112778992
N-(3-aminooxypropyl)-3-[[2-[(2S)-2-(113C)methyl(115N)azinan-1-yl]acetyl]amino](313C)propanamide
CID 123219122
N-[(4-methoxyphenyl)methyl]-2-[(2R)-2-methylpiperidin-1-yl]acetamide
CID 8583381
N-(3-aminooxypropyl)-3-[[2-[(2S)-2-(113C)methyl(2,6-13C2,115N)azinan-1-yl]acetyl]amino]propanamide
CID 123781380

Frequently Asked Questions

What is the IUPAC name of N-(1-adamantylmethyl)-2-[(2S)-2-methylpiperidin-1-yl]acetamide?
The IUPAC name of N-(1-adamantylmethyl)-2-[(2S)-2-methylpiperidin-1-yl]acetamide (CID 8583065) is N-(1-adamantylmethyl)-2-[(2S)-2-methylpiperidin-1-yl]acetamide.
What is the SMILES notation for N-(1-adamantylmethyl)-2-[(2S)-2-methylpiperidin-1-yl]acetamide?
The canonical SMILES for N-(1-adamantylmethyl)-2-[(2S)-2-methylpiperidin-1-yl]acetamide is C[C@H]1CCCCN1CC(=O)NCC12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-(1-adamantylmethyl)-2-[(2S)-2-methylpiperidin-1-yl]acetamide?
The InChIKey is CVNJBMJRMCHCEW-ISOUWHGUSA-N. The full InChI is InChI=1S/C19H32N2O/c1-14-4-2-3-5-21(14)12-18(22)20-13-19-9-15-6-16(10-19)8-17(7-15)11-19/h14-17H,2-13H2,1H3,(H,20,22)/t14-,15?,16?,17?,19?/m0/s1.
What are the key properties of N-(1-adamantylmethyl)-2-[(2S)-2-methylpiperidin-1-yl]acetamide?
N-(1-adamantylmethyl)-2-[(2S)-2-methylpiperidin-1-yl]acetamide has a molecular weight of 304.48 g/mol, XLogP of 3.19, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-adamantylmethyl)-2-[(2S)-2-methylpiperidin-1-yl]acetamide is sourced from PubChem (CID 8583065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).