2-[4-[(2R)-2-hydroxy-3,3-dimethylbutyl]piperazin-1-yl]-N-(pyridin-2-ylmethyl)acetamide

C18H30N4O2 — CID 95311404

IUPAC2-[4-[(2R)-2-hydroxy-3,3-dimethylbutyl]piperazin-1-yl]-N-(pyridin-2-ylmethyl)acetamide
SMILESCC(C)(C)[C@@H](O)CN1CCN(CC(=O)NCc2ccccn2)CC1
InChIInChI=1S/C18H30N4O2/c1-18(2,3)16(23)13-21-8-10-22(11-9-21)14-17(24)20-12-15-6-4-5-7-19-15/h4-7,16,23H,8-14H2,1-3H3,(H,20,24)/t16-/m0/s1
InChIKeyMNYVROQVQUCEFE-INIZCTEOSA-N
MW334.46 g/mol
LogP0.72
Rot. Bonds6

About 2-[4-[(2R)-2-hydroxy-3,3-dimethylbutyl]piperazin-1-yl]-N-(pyridin-2-ylmethyl)acetamide

2-[4-[(2R)-2-hydroxy-3,3-dimethylbutyl]piperazin-1-yl]-N-(pyridin-2-ylmethyl)acetamide (PubChem CID 95311404) has the molecular formula C18H30N4O2 and a molecular weight of 334.46 g/mol. Its IUPAC name is 2-[4-[(2R)-2-hydroxy-3,3-dimethylbutyl]piperazin-1-yl]-N-(pyridin-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[4-[(2R)-2-hydroxy-3,3-dimethylbutyl]piperazin-1-yl]-N-(pyridin-2-ylmethyl)acetamide
PubChem CID95311404
Molecular FormulaC18H30N4O2
Molecular Weight334.46 g/mol
Exact Mass334.24
IUPAC Name2-[4-[(2R)-2-hydroxy-3,3-dimethylbutyl]piperazin-1-yl]-N-(pyridin-2-ylmethyl)acetamide
SMILESCC(C)(C)[C@@H](O)CN1CCN(CC(=O)NCc2ccccn2)CC1
InChIInChI=1S/C18H30N4O2/c1-18(2,3)16(23)13-21-8-10-22(11-9-21)14-17(24)20-12-15-6-4-5-7-19-15/h4-7,16,23H,8-14H2,1-3H3,(H,20,24)/t16-/m0/s1
InChIKeyMNYVROQVQUCEFE-INIZCTEOSA-N
XLogP0.72
TPSA68.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.46
LogP ≤ 50.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-benzylpiperazin-1-yl)-N-(pyridin-2-ylmethyl)acetamide
CID 46488455
2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-(pyridin-2-ylmethyl)acetamide
CID 46056291
2-(4-aminopiperidin-1-yl)-N-(pyridin-2-ylmethyl)acetamide
CID 79333901
2-(6-hydroxy-4-propyl-1,4-diazepan-1-yl)-N-(pyridin-2-ylmethyl)acetamide
CID 74242130
2-(3-methylpiperidin-1-yl)-N-(pyridin-2-ylmethyl)acetamide
CID 108999232
1-[(2R)-3-(azepan-1-yl)-2-hydroxypropyl]-3-(pyridin-2-ylmethyl)urea
CID 126423883
(3S,4S)-1-[2-oxo-2-(pyridin-2-ylmethylamino)ethyl]-4-propan-2-ylpyrrolidine-3-carboxylic acid
CID 72870323
N-(3-hydroxy-2,2,4-trimethylpentyl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide
CID 109380809
N-[(4-methoxyphenyl)methyl]-2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]acetamide
CID 34727834
4-hydroxy-N-(pyridin-2-ylmethyl)pentanamide
CID 79016708
2-[(2R)-2-phenylthiomorpholin-4-yl]-N-(pyridin-2-ylmethyl)acetamide
CID 97214559
2-[(3R,4R)-3-hydroxy-3,4-dimethylpyrrolidin-1-yl]-N-(pyridin-2-ylmethyl)acetamide
CID 72894294

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2R)-2-hydroxy-3,3-dimethylbutyl]piperazin-1-yl]-N-(pyridin-2-ylmethyl)acetamide?
The IUPAC name of 2-[4-[(2R)-2-hydroxy-3,3-dimethylbutyl]piperazin-1-yl]-N-(pyridin-2-ylmethyl)acetamide (CID 95311404) is 2-[4-[(2R)-2-hydroxy-3,3-dimethylbutyl]piperazin-1-yl]-N-(pyridin-2-ylmethyl)acetamide.
What is the SMILES notation for 2-[4-[(2R)-2-hydroxy-3,3-dimethylbutyl]piperazin-1-yl]-N-(pyridin-2-ylmethyl)acetamide?
The canonical SMILES for 2-[4-[(2R)-2-hydroxy-3,3-dimethylbutyl]piperazin-1-yl]-N-(pyridin-2-ylmethyl)acetamide is CC(C)(C)[C@@H](O)CN1CCN(CC(=O)NCc2ccccn2)CC1.
What is the InChIKey of 2-[4-[(2R)-2-hydroxy-3,3-dimethylbutyl]piperazin-1-yl]-N-(pyridin-2-ylmethyl)acetamide?
The InChIKey is MNYVROQVQUCEFE-INIZCTEOSA-N. The full InChI is InChI=1S/C18H30N4O2/c1-18(2,3)16(23)13-21-8-10-22(11-9-21)14-17(24)20-12-15-6-4-5-7-19-15/h4-7,16,23H,8-14H2,1-3H3,(H,20,24)/t16-/m0/s1.
What are the key properties of 2-[4-[(2R)-2-hydroxy-3,3-dimethylbutyl]piperazin-1-yl]-N-(pyridin-2-ylmethyl)acetamide?
2-[4-[(2R)-2-hydroxy-3,3-dimethylbutyl]piperazin-1-yl]-N-(pyridin-2-ylmethyl)acetamide has a molecular weight of 334.46 g/mol, XLogP of 0.72, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2R)-2-hydroxy-3,3-dimethylbutyl]piperazin-1-yl]-N-(pyridin-2-ylmethyl)acetamide is sourced from PubChem (CID 95311404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).