2-methyl-N-(1-propan-2-ylpiperidin-4-yl)propanamide;molecular hydrogen

C12H26N2O — CID 176982787

IUPAC2-methyl-N-(1-propan-2-ylpiperidin-4-yl)propanamide;molecular hydrogen
SMILESCC(C)C(=O)NC1CCN(C(C)C)CC1.[H][H]
InChIInChI=1S/C12H24N2O.H2/c1-9(2)12(15)13-11-5-7-14(8-6-11)10(3)4;/h9-11H,5-8H2,1-4H3,(H,13,15);1H
InChIKeyYKBHWHOIIZTFPP-UHFFFAOYSA-N
MW214.35 g/mol
LogP1.88
Rot. Bonds3

About 2-methyl-N-(1-propan-2-ylpiperidin-4-yl)propanamide;molecular hydrogen

2-methyl-N-(1-propan-2-ylpiperidin-4-yl)propanamide;molecular hydrogen (PubChem CID 176982787) has the molecular formula C12H26N2O and a molecular weight of 214.35 g/mol. Its IUPAC name is 2-methyl-N-(1-propan-2-ylpiperidin-4-yl)propanamide;molecular hydrogen.

Molecular Properties

Compound Name2-methyl-N-(1-propan-2-ylpiperidin-4-yl)propanamide;molecular hydrogen
PubChem CID176982787
Molecular FormulaC12H26N2O
Molecular Weight214.35 g/mol
Exact Mass214.20
IUPAC Name2-methyl-N-(1-propan-2-ylpiperidin-4-yl)propanamide;molecular hydrogen
SMILESCC(C)C(=O)NC1CCN(C(C)C)CC1.[H][H]
InChIInChI=1S/C12H24N2O.H2/c1-9(2)12(15)13-11-5-7-14(8-6-11)10(3)4;/h9-11H,5-8H2,1-4H3,(H,13,15);1H
InChIKeyYKBHWHOIIZTFPP-UHFFFAOYSA-N
XLogP1.88
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.35
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N,N-Diethylpiperidine-3-carboxamide
CID 18793
1-Cyclopropanecarbonylpiperidin-4-amine
CID 3163331
N,N-Diethyl-4-piperidinecarboxamide
CID 410920
N-((S)-3-Amino-4-oxo-4-piperidin-1-yl-butyl)-acetamide
CID 10353699
N-piperidin-4-ylcyclopropanecarboxamide
CID 1445166
N-[3-(dimethylamino)propyl]piperidine-4-carboxamide
CID 2186960
1-Acetyl-N-cyclopropylpiperidin-4-amine
CID 2735241
4-Acetamidopiperidine
CID 1445156
4-Tert-butylcarbonylaminopiperidine
CID 1445176
2-Amino-1-(piperidin-1-yl)propan-1-one
CID 3152952
N-(1-acetylpiperidin-3-yl)propanamide
CID 44454221
1-(4-(Aminomethyl)piperidin-1-yl)ethan-1-one
CID 12687022

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(1-propan-2-ylpiperidin-4-yl)propanamide;molecular hydrogen?
The IUPAC name of 2-methyl-N-(1-propan-2-ylpiperidin-4-yl)propanamide;molecular hydrogen (CID 176982787) is 2-methyl-N-(1-propan-2-ylpiperidin-4-yl)propanamide;molecular hydrogen.
What is the SMILES notation for 2-methyl-N-(1-propan-2-ylpiperidin-4-yl)propanamide;molecular hydrogen?
The canonical SMILES for 2-methyl-N-(1-propan-2-ylpiperidin-4-yl)propanamide;molecular hydrogen is CC(C)C(=O)NC1CCN(C(C)C)CC1.[H][H].
What is the InChIKey of 2-methyl-N-(1-propan-2-ylpiperidin-4-yl)propanamide;molecular hydrogen?
The InChIKey is YKBHWHOIIZTFPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O.H2/c1-9(2)12(15)13-11-5-7-14(8-6-11)10(3)4;/h9-11H,5-8H2,1-4H3,(H,13,15);1H.
What are the key properties of 2-methyl-N-(1-propan-2-ylpiperidin-4-yl)propanamide;molecular hydrogen?
2-methyl-N-(1-propan-2-ylpiperidin-4-yl)propanamide;molecular hydrogen has a molecular weight of 214.35 g/mol, XLogP of 1.88, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(1-propan-2-ylpiperidin-4-yl)propanamide;molecular hydrogen is sourced from PubChem (CID 176982787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).