N-[(2-hydroxy-2-adamantyl)methyl]-2-[(2S)-3-oxo-1-propan-2-ylpiperazin-2-yl]acetamide

C20H33N3O3 — CID 95129660

IUPACN-[(2-hydroxy-2-adamantyl)methyl]-2-[(2S)-3-oxo-1-propan-2-ylpiperazin-2-yl]acetamide
SMILESCC(C)N1CCNC(=O)[C@@H]1CC(=O)NCC1(O)C2CC3CC(C2)CC1C3
InChIInChI=1S/C20H33N3O3/c1-12(2)23-4-3-21-19(25)17(23)10-18(24)22-11-20(26)15-6-13-5-14(8-15)9-16(20)7-13/h12-17,26H,3-11H2,1-2H3,(H,21,25)(H,22,24)/t13?,14?,15?,16?,17-,20?/m0/s1
InChIKeyAYAJOQPQFPLXLX-ITNKIWFMSA-N
MW363.50 g/mol
LogP0.89
Rot. Bonds5

About N-[(2-hydroxy-2-adamantyl)methyl]-2-[(2S)-3-oxo-1-propan-2-ylpiperazin-2-yl]acetamide

N-[(2-hydroxy-2-adamantyl)methyl]-2-[(2S)-3-oxo-1-propan-2-ylpiperazin-2-yl]acetamide (PubChem CID 95129660) has the molecular formula C20H33N3O3 and a molecular weight of 363.50 g/mol. Its IUPAC name is N-[(2-hydroxy-2-adamantyl)methyl]-2-[(2S)-3-oxo-1-propan-2-ylpiperazin-2-yl]acetamide.

Molecular Properties

Compound NameN-[(2-hydroxy-2-adamantyl)methyl]-2-[(2S)-3-oxo-1-propan-2-ylpiperazin-2-yl]acetamide
PubChem CID95129660
Molecular FormulaC20H33N3O3
Molecular Weight363.50 g/mol
Exact Mass363.25
IUPAC NameN-[(2-hydroxy-2-adamantyl)methyl]-2-[(2S)-3-oxo-1-propan-2-ylpiperazin-2-yl]acetamide
SMILESCC(C)N1CCNC(=O)[C@@H]1CC(=O)NCC1(O)C2CC3CC(C2)CC1C3
InChIInChI=1S/C20H33N3O3/c1-12(2)23-4-3-21-19(25)17(23)10-18(24)22-11-20(26)15-6-13-5-14(8-15)9-16(20)7-13/h12-17,26H,3-11H2,1-2H3,(H,21,25)(H,22,24)/t13?,14?,15?,16?,17-,20?/m0/s1
InChIKeyAYAJOQPQFPLXLX-ITNKIWFMSA-N
XLogP0.89
TPSA81.67 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.50
LogP ≤ 50.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Launch Full Analysis

Related Compounds

methyl 2-methyl-2-[[2-[(2S)-3-oxo-1-propan-2-ylpiperazin-2-yl]acetyl]amino]propanoate
CID 95124713
N-[(2,6-dimethoxyphenyl)methyl]-2-[(2R)-3-oxo-1-propan-2-ylpiperazin-2-yl]acetamide
CID 42241907
2-(3-oxo-1-propan-2-ylpiperazin-2-yl)-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)acetamide
CID 56896917
N-[[3-(2-methylpropyl)-1,2-oxazol-5-yl]methyl]-2-[(2S)-3-oxo-1-propan-2-ylpiperazin-2-yl]acetamide
CID 95126653
2-[(2S)-3-oxo-1-propan-2-ylpiperazin-2-yl]-N-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]acetamide
CID 95132319
2-[(2S)-3-oxo-1-propan-2-ylpiperazin-2-yl]-N-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]acetamide
CID 124854636
N-[[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(3-oxo-1-propan-2-ylpiperazin-2-yl)acetamide
CID 135118006
N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]-2-[(2R)-3-oxo-1-propan-2-ylpiperazin-2-yl]acetamide
CID 125174351
N-[3-(4-chloro-3,5-dimethylpyrazol-1-yl)propyl]-2-[(2R)-3-oxo-1-propan-2-ylpiperazin-2-yl]acetamide
CID 124854641
2-[(2S)-3-oxo-1-propan-2-ylpiperazin-2-yl]-N-[(4-oxo-3H-quinazolin-2-yl)methyl]acetamide
CID 137098586
N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]-2-(3-oxo-1-propan-2-ylpiperazin-2-yl)acetamide
CID 50959250
N-[2-(2-methoxynaphthalen-1-yl)ethyl]-2-[(2R)-3-oxo-1-propan-2-ylpiperazin-2-yl]acetamide
CID 95132204

Frequently Asked Questions

What is the IUPAC name of N-[(2-hydroxy-2-adamantyl)methyl]-2-[(2S)-3-oxo-1-propan-2-ylpiperazin-2-yl]acetamide?
The IUPAC name of N-[(2-hydroxy-2-adamantyl)methyl]-2-[(2S)-3-oxo-1-propan-2-ylpiperazin-2-yl]acetamide (CID 95129660) is N-[(2-hydroxy-2-adamantyl)methyl]-2-[(2S)-3-oxo-1-propan-2-ylpiperazin-2-yl]acetamide.
What is the SMILES notation for N-[(2-hydroxy-2-adamantyl)methyl]-2-[(2S)-3-oxo-1-propan-2-ylpiperazin-2-yl]acetamide?
The canonical SMILES for N-[(2-hydroxy-2-adamantyl)methyl]-2-[(2S)-3-oxo-1-propan-2-ylpiperazin-2-yl]acetamide is CC(C)N1CCNC(=O)[C@@H]1CC(=O)NCC1(O)C2CC3CC(C2)CC1C3.
What is the InChIKey of N-[(2-hydroxy-2-adamantyl)methyl]-2-[(2S)-3-oxo-1-propan-2-ylpiperazin-2-yl]acetamide?
The InChIKey is AYAJOQPQFPLXLX-ITNKIWFMSA-N. The full InChI is InChI=1S/C20H33N3O3/c1-12(2)23-4-3-21-19(25)17(23)10-18(24)22-11-20(26)15-6-13-5-14(8-15)9-16(20)7-13/h12-17,26H,3-11H2,1-2H3,(H,21,25)(H,22,24)/t13?,14?,15?,16?,17-,20?/m0/s1.
What are the key properties of N-[(2-hydroxy-2-adamantyl)methyl]-2-[(2S)-3-oxo-1-propan-2-ylpiperazin-2-yl]acetamide?
N-[(2-hydroxy-2-adamantyl)methyl]-2-[(2S)-3-oxo-1-propan-2-ylpiperazin-2-yl]acetamide has a molecular weight of 363.50 g/mol, XLogP of 0.89, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-hydroxy-2-adamantyl)methyl]-2-[(2S)-3-oxo-1-propan-2-ylpiperazin-2-yl]acetamide is sourced from PubChem (CID 95129660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).