N-[1-[1-(2-amino-2-methylpropyl)piperidin-4-yl]ethyl]acetamide;hydrochloride

C13H28ClN3O — CID 120849636

IUPACN-[1-[1-(2-amino-2-methylpropyl)piperidin-4-yl]ethyl]acetamide;hydrochloride
SMILESCC(=O)NC(C)C1CCN(CC(C)(C)N)CC1.Cl
InChIInChI=1S/C13H27N3O.ClH/c1-10(15-11(2)17)12-5-7-16(8-6-12)9-13(3,4)14;/h10,12H,5-9,14H2,1-4H3,(H,15,17);1H
InChIKeyUXQJTUTXAJENAA-UHFFFAOYSA-N
MW277.84 g/mol
LogP1.38
Rot. Bonds4

About N-[1-[1-(2-amino-2-methylpropyl)piperidin-4-yl]ethyl]acetamide;hydrochloride

N-[1-[1-(2-amino-2-methylpropyl)piperidin-4-yl]ethyl]acetamide;hydrochloride (PubChem CID 120849636) has the molecular formula C13H28ClN3O and a molecular weight of 277.84 g/mol. Its IUPAC name is N-[1-[1-(2-amino-2-methylpropyl)piperidin-4-yl]ethyl]acetamide;hydrochloride.

Molecular Properties

Compound NameN-[1-[1-(2-amino-2-methylpropyl)piperidin-4-yl]ethyl]acetamide;hydrochloride
PubChem CID120849636
Molecular FormulaC13H28ClN3O
Molecular Weight277.84 g/mol
Exact Mass277.19
IUPAC NameN-[1-[1-(2-amino-2-methylpropyl)piperidin-4-yl]ethyl]acetamide;hydrochloride
SMILESCC(=O)NC(C)C1CCN(CC(C)(C)N)CC1.Cl
InChIInChI=1S/C13H27N3O.ClH/c1-10(15-11(2)17)12-5-7-16(8-6-12)9-13(3,4)14;/h10,12H,5-9,14H2,1-4H3,(H,15,17);1H
InChIKeyUXQJTUTXAJENAA-UHFFFAOYSA-N
XLogP1.38
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.84
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-[1-[2,2-difluoro-2-(4-fluorophenyl)ethyl]piperidin-4-yl]ethyl]acetamide
CID 146103213
2-methyl-1-[4-[1-(methylamino)ethyl]piperidin-1-yl]propan-2-ol
CID 63854648
N-[(1S)-1-cyclopentylethyl]acetamide
CID 81388909
N-(1-cyclobutylethyl)acetamide
CID 115769098
N-[(1S)-1-[1-[(3-chlorothiophen-2-yl)methyl]piperidin-4-yl]ethyl]acetamide
CID 100702776
3-amino-N-[(1R)-1-cyclopentylethyl]-3-methylbutanamide
CID 81390694
1-[4-[1-(ethylamino)ethyl]piperidin-1-yl]-2-methylpropan-2-ol
CID 63853262
2,2-dimethyl-3-(4-propan-2-ylazepan-1-yl)propanehydrazide
CID 79631643
2-[1-(1-ethylpiperidin-4-yl)ethylamino]-2-methylpropanamide
CID 61220165
N-[1-(2-amino-2-methylpropyl)piperidin-4-yl]propane-1-sulfonamide;hydrochloride
CID 120847870
N-(1-piperidin-4-ylethyl)acetamide
CID 43523156
4-(4-ethylpiperidin-1-yl)-3,3-dimethylbutan-2-one
CID 66453593

Frequently Asked Questions

What is the IUPAC name of N-[1-[1-(2-amino-2-methylpropyl)piperidin-4-yl]ethyl]acetamide;hydrochloride?
The IUPAC name of N-[1-[1-(2-amino-2-methylpropyl)piperidin-4-yl]ethyl]acetamide;hydrochloride (CID 120849636) is N-[1-[1-(2-amino-2-methylpropyl)piperidin-4-yl]ethyl]acetamide;hydrochloride.
What is the SMILES notation for N-[1-[1-(2-amino-2-methylpropyl)piperidin-4-yl]ethyl]acetamide;hydrochloride?
The canonical SMILES for N-[1-[1-(2-amino-2-methylpropyl)piperidin-4-yl]ethyl]acetamide;hydrochloride is CC(=O)NC(C)C1CCN(CC(C)(C)N)CC1.Cl.
What is the InChIKey of N-[1-[1-(2-amino-2-methylpropyl)piperidin-4-yl]ethyl]acetamide;hydrochloride?
The InChIKey is UXQJTUTXAJENAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O.ClH/c1-10(15-11(2)17)12-5-7-16(8-6-12)9-13(3,4)14;/h10,12H,5-9,14H2,1-4H3,(H,15,17);1H.
What are the key properties of N-[1-[1-(2-amino-2-methylpropyl)piperidin-4-yl]ethyl]acetamide;hydrochloride?
N-[1-[1-(2-amino-2-methylpropyl)piperidin-4-yl]ethyl]acetamide;hydrochloride has a molecular weight of 277.84 g/mol, XLogP of 1.38, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[1-(2-amino-2-methylpropyl)piperidin-4-yl]ethyl]acetamide;hydrochloride is sourced from PubChem (CID 120849636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).