N-[2-[2-(aminomethyl)piperidin-1-yl]-2-oxoethyl]-3,3-dimethylbutanamide;hydrochloride

C14H28ClN3O2 — CID 119468022

IUPACN-[2-[2-(aminomethyl)piperidin-1-yl]-2-oxoethyl]-3,3-dimethylbutanamide;hydrochloride
SMILESCC(C)(C)CC(=O)NCC(=O)N1CCCCC1CN.Cl
InChIInChI=1S/C14H27N3O2.ClH/c1-14(2,3)8-12(18)16-10-13(19)17-7-5-4-6-11(17)9-15;/h11H,4-10,15H2,1-3H3,(H,16,18);1H
InChIKeyQGICKJYERYKWSY-UHFFFAOYSA-N
MW305.85 g/mol
LogP1.30
Rot. Bonds4

About N-[2-[2-(aminomethyl)piperidin-1-yl]-2-oxoethyl]-3,3-dimethylbutanamide;hydrochloride

N-[2-[2-(aminomethyl)piperidin-1-yl]-2-oxoethyl]-3,3-dimethylbutanamide;hydrochloride (PubChem CID 119468022) has the molecular formula C14H28ClN3O2 and a molecular weight of 305.85 g/mol. Its IUPAC name is N-[2-[2-(aminomethyl)piperidin-1-yl]-2-oxoethyl]-3,3-dimethylbutanamide;hydrochloride.

Molecular Properties

Compound NameN-[2-[2-(aminomethyl)piperidin-1-yl]-2-oxoethyl]-3,3-dimethylbutanamide;hydrochloride
PubChem CID119468022
Molecular FormulaC14H28ClN3O2
Molecular Weight305.85 g/mol
Exact Mass305.19
IUPAC NameN-[2-[2-(aminomethyl)piperidin-1-yl]-2-oxoethyl]-3,3-dimethylbutanamide;hydrochloride
SMILESCC(C)(C)CC(=O)NCC(=O)N1CCCCC1CN.Cl
InChIInChI=1S/C14H27N3O2.ClH/c1-14(2,3)8-12(18)16-10-13(19)17-7-5-4-6-11(17)9-15;/h11H,4-10,15H2,1-3H3,(H,16,18);1H
InChIKeyQGICKJYERYKWSY-UHFFFAOYSA-N
XLogP1.30
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.85
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[2-(aminomethyl)piperidin-1-yl]-2-oxoethyl]butanamide;hydrochloride
CID 119468639
N-[3-[2-(aminomethyl)piperidin-1-yl]-3-oxopropyl]-2,2-dimethylpropanamide;hydrochloride
CID 119466693
N-[2-(azocan-1-yl)-2-oxoethyl]-3,3-dimethylbutanamide
CID 86828606
N-[2-[2-(aminomethyl)pyrrolidin-1-yl]-2-oxoethyl]-2-phenylacetamide
CID 119631388
N-[2-[2-(aminomethyl)pyrrolidin-1-yl]-2-oxoethyl]-3-(4-methylphenyl)propanamide;hydrochloride
CID 119632681
N-[2-[2-[(3-aminopropanoylamino)methyl]piperidin-1-yl]-2-oxoethyl]-2,2-dimethylpropanamide
CID 120579455
N-[2-[2-[(3-aminopropanoylamino)methyl]piperidin-1-yl]-2-oxoethyl]butanamide
CID 120578111
3,3-dimethyl-1-[2-(methylaminomethyl)piperidin-1-yl]butan-1-one
CID 63249773
tert-butyl 2-(aminomethyl)azepane-1-carboxylate
CID 44607628
1-[2-(aminomethyl)piperidin-1-yl]-2-(2-methoxyanilino)ethanone;dihydrochloride
CID 119466852
N-[4-[2-(aminomethyl)piperidin-1-yl]-4-oxobutan-2-yl]cyclohexanecarboxamide;hydrochloride
CID 119466885
1-[2-(3,3-dimethylbutanoylamino)acetyl]piperidine-3-carboxylic acid
CID 102553202

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(aminomethyl)piperidin-1-yl]-2-oxoethyl]-3,3-dimethylbutanamide;hydrochloride?
The IUPAC name of N-[2-[2-(aminomethyl)piperidin-1-yl]-2-oxoethyl]-3,3-dimethylbutanamide;hydrochloride (CID 119468022) is N-[2-[2-(aminomethyl)piperidin-1-yl]-2-oxoethyl]-3,3-dimethylbutanamide;hydrochloride.
What is the SMILES notation for N-[2-[2-(aminomethyl)piperidin-1-yl]-2-oxoethyl]-3,3-dimethylbutanamide;hydrochloride?
The canonical SMILES for N-[2-[2-(aminomethyl)piperidin-1-yl]-2-oxoethyl]-3,3-dimethylbutanamide;hydrochloride is CC(C)(C)CC(=O)NCC(=O)N1CCCCC1CN.Cl.
What is the InChIKey of N-[2-[2-(aminomethyl)piperidin-1-yl]-2-oxoethyl]-3,3-dimethylbutanamide;hydrochloride?
The InChIKey is QGICKJYERYKWSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O2.ClH/c1-14(2,3)8-12(18)16-10-13(19)17-7-5-4-6-11(17)9-15;/h11H,4-10,15H2,1-3H3,(H,16,18);1H.
What are the key properties of N-[2-[2-(aminomethyl)piperidin-1-yl]-2-oxoethyl]-3,3-dimethylbutanamide;hydrochloride?
N-[2-[2-(aminomethyl)piperidin-1-yl]-2-oxoethyl]-3,3-dimethylbutanamide;hydrochloride has a molecular weight of 305.85 g/mol, XLogP of 1.30, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(aminomethyl)piperidin-1-yl]-2-oxoethyl]-3,3-dimethylbutanamide;hydrochloride is sourced from PubChem (CID 119468022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).