N-(2-methyl-6-propan-2-ylphenyl)-2-piperidin-1-ium-1-ylacetamide

C17H27N2O+ — CID 2652799

IUPACN-(2-methyl-6-propan-2-ylphenyl)-2-piperidin-1-ium-1-ylacetamide
SMILESCc1cccc(C(C)C)c1NC(=O)C[NH+]1CCCCC1
InChIInChI=1S/C17H26N2O/c1-13(2)15-9-7-8-14(3)17(15)18-16(20)12-19-10-5-4-6-11-19/h7-9,13H,4-6,10-12H2,1-3H3,(H,18,20)/p+1
InChIKeyRFKASZISCCQVJO-UHFFFAOYSA-O
MW275.42 g/mol
LogP2.13
Rot. Bonds4

About N-(2-methyl-6-propan-2-ylphenyl)-2-piperidin-1-ium-1-ylacetamide

N-(2-methyl-6-propan-2-ylphenyl)-2-piperidin-1-ium-1-ylacetamide (PubChem CID 2652799) has the molecular formula C17H27N2O+ and a molecular weight of 275.42 g/mol. Its IUPAC name is N-(2-methyl-6-propan-2-ylphenyl)-2-piperidin-1-ium-1-ylacetamide.

Molecular Properties

Compound NameN-(2-methyl-6-propan-2-ylphenyl)-2-piperidin-1-ium-1-ylacetamide
PubChem CID2652799
Molecular FormulaC17H27N2O+
Molecular Weight275.42 g/mol
Exact Mass275.21
IUPAC NameN-(2-methyl-6-propan-2-ylphenyl)-2-piperidin-1-ium-1-ylacetamide
SMILESCc1cccc(C(C)C)c1NC(=O)C[NH+]1CCCCC1
InChIInChI=1S/C17H26N2O/c1-13(2)15-9-7-8-14(3)17(15)18-16(20)12-19-10-5-4-6-11-19/h7-9,13H,4-6,10-12H2,1-3H3,(H,18,20)/p+1
InChIKeyRFKASZISCCQVJO-UHFFFAOYSA-O
XLogP2.13
TPSA33.54 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.42
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

2-(4-methylpiperidin-1-ium-1-yl)-N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 2655039
2-[4-(2-fluorophenyl)piperazin-1-ium-1-yl]-N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 2654094
N-(2,6-dimethylphenyl)-2-[(2-piperidin-1-ium-1-ylacetyl)amino]acetamide
CID 8894549
2-[(2R,6S)-2,6-dimethylmorpholin-4-ium-4-yl]-N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 2653132
2-[4-[(3-chlorophenyl)methyl]piperazine-1,4-diium-1-yl]-N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 9258677
N-(2-methyl-6-propan-2-ylphenyl)-2-sulfanylacetamide
CID 715390
2-(1-hydroxycyclohexyl)-N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 111720134
ethyl 4-[2-[2,6-di(propan-2-yl)anilino]-2-oxoethyl]piperazin-4-ium-1-carboxylate
CID 8932305
2-(methylamino)-N-(2-methyl-6-propan-2-ylphenyl)acetamide;hydrochloride
CID 119674500
2-[ethyl(methyl)amino]-N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 60516691
2-(1-hydroxycyclopentyl)-N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 111720133
4-(2-methyl-6-propan-2-ylanilino)-4-oxobutanoic acid
CID 9154947

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-6-propan-2-ylphenyl)-2-piperidin-1-ium-1-ylacetamide?
The IUPAC name of N-(2-methyl-6-propan-2-ylphenyl)-2-piperidin-1-ium-1-ylacetamide (CID 2652799) is N-(2-methyl-6-propan-2-ylphenyl)-2-piperidin-1-ium-1-ylacetamide.
What is the SMILES notation for N-(2-methyl-6-propan-2-ylphenyl)-2-piperidin-1-ium-1-ylacetamide?
The canonical SMILES for N-(2-methyl-6-propan-2-ylphenyl)-2-piperidin-1-ium-1-ylacetamide is Cc1cccc(C(C)C)c1NC(=O)C[NH+]1CCCCC1.
What is the InChIKey of N-(2-methyl-6-propan-2-ylphenyl)-2-piperidin-1-ium-1-ylacetamide?
The InChIKey is RFKASZISCCQVJO-UHFFFAOYSA-O. The full InChI is InChI=1S/C17H26N2O/c1-13(2)15-9-7-8-14(3)17(15)18-16(20)12-19-10-5-4-6-11-19/h7-9,13H,4-6,10-12H2,1-3H3,(H,18,20)/p+1.
What are the key properties of N-(2-methyl-6-propan-2-ylphenyl)-2-piperidin-1-ium-1-ylacetamide?
N-(2-methyl-6-propan-2-ylphenyl)-2-piperidin-1-ium-1-ylacetamide has a molecular weight of 275.42 g/mol, XLogP of 2.13, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-6-propan-2-ylphenyl)-2-piperidin-1-ium-1-ylacetamide is sourced from PubChem (CID 2652799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).