2,2-dimethyl-N-[1-[methyl(piperidin-4-yl)amino]-1-oxopropan-2-yl]propanamide;hydrochloride

C14H28ClN3O2 — CID 119443872

IUPAC2,2-dimethyl-N-[1-[methyl(piperidin-4-yl)amino]-1-oxopropan-2-yl]propanamide;hydrochloride
SMILESCC(NC(=O)C(C)(C)C)C(=O)N(C)C1CCNCC1.Cl
InChIInChI=1S/C14H27N3O2.ClH/c1-10(16-13(19)14(2,3)4)12(18)17(5)11-6-8-15-9-7-11;/h10-11,15H,6-9H2,1-5H3,(H,16,19);1H
InChIKeySRDBNPMBKHAKFW-UHFFFAOYSA-N
MW305.85 g/mol
LogP1.17
Rot. Bonds3

About 2,2-dimethyl-N-[1-[methyl(piperidin-4-yl)amino]-1-oxopropan-2-yl]propanamide;hydrochloride

2,2-dimethyl-N-[1-[methyl(piperidin-4-yl)amino]-1-oxopropan-2-yl]propanamide;hydrochloride (PubChem CID 119443872) has the molecular formula C14H28ClN3O2 and a molecular weight of 305.85 g/mol. Its IUPAC name is 2,2-dimethyl-N-[1-[methyl(piperidin-4-yl)amino]-1-oxopropan-2-yl]propanamide;hydrochloride.

Molecular Properties

Compound Name2,2-dimethyl-N-[1-[methyl(piperidin-4-yl)amino]-1-oxopropan-2-yl]propanamide;hydrochloride
PubChem CID119443872
Molecular FormulaC14H28ClN3O2
Molecular Weight305.85 g/mol
Exact Mass305.19
IUPAC Name2,2-dimethyl-N-[1-[methyl(piperidin-4-yl)amino]-1-oxopropan-2-yl]propanamide;hydrochloride
SMILESCC(NC(=O)C(C)(C)C)C(=O)N(C)C1CCNCC1.Cl
InChIInChI=1S/C14H27N3O2.ClH/c1-10(16-13(19)14(2,3)4)12(18)17(5)11-6-8-15-9-7-11;/h10-11,15H,6-9H2,1-5H3,(H,16,19);1H
InChIKeySRDBNPMBKHAKFW-UHFFFAOYSA-N
XLogP1.17
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.85
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-[methyl(piperidin-4-yl)amino]-1-oxopropan-2-yl]furan-3-carboxamide;hydrochloride
CID 119441351
N-[1-(dimethylamino)-1-oxopropan-2-yl]-2,2-dimethylpropanamide
CID 60730592
(2S)-2-amino-N-(azepan-4-yl)-N-methylpropanamide;hydrochloride
CID 130626855
2-[(2-cyclohexylacetyl)amino]-N-methyl-N-pyrrolidin-3-ylpropanamide;hydrochloride
CID 119554088
N-(azepan-4-yl)-N,2,3-trimethylbutanamide
CID 104974580
2-ethoxy-N-methyl-N-piperidin-4-ylpropanamide
CID 119444012
tert-butyl N-[1-[cyclohexyl(methyl)amino]-1-oxopropan-2-yl]carbamate
CID 24688604
2,2-dimethyl-N-[1-oxo-1-(piperidin-3-ylamino)propan-2-yl]propanamide
CID 119428227
N-cyclopropyl-N-methyl-2-(methylamino)propanamide
CID 62637829
2-[methyl-[methyl(piperidin-4-yl)carbamoyl]amino]propanoic acid
CID 62637201
N-[1-[cyclobutyl(3-hydroxypropyl)amino]-1-oxopropan-2-yl]-2,2-dimethylpropanamide
CID 102866389
2-(4-tert-butylphenoxy)-N-methyl-N-piperidin-4-ylpropanamide
CID 119441988

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-[1-[methyl(piperidin-4-yl)amino]-1-oxopropan-2-yl]propanamide;hydrochloride?
The IUPAC name of 2,2-dimethyl-N-[1-[methyl(piperidin-4-yl)amino]-1-oxopropan-2-yl]propanamide;hydrochloride (CID 119443872) is 2,2-dimethyl-N-[1-[methyl(piperidin-4-yl)amino]-1-oxopropan-2-yl]propanamide;hydrochloride.
What is the SMILES notation for 2,2-dimethyl-N-[1-[methyl(piperidin-4-yl)amino]-1-oxopropan-2-yl]propanamide;hydrochloride?
The canonical SMILES for 2,2-dimethyl-N-[1-[methyl(piperidin-4-yl)amino]-1-oxopropan-2-yl]propanamide;hydrochloride is CC(NC(=O)C(C)(C)C)C(=O)N(C)C1CCNCC1.Cl.
What is the InChIKey of 2,2-dimethyl-N-[1-[methyl(piperidin-4-yl)amino]-1-oxopropan-2-yl]propanamide;hydrochloride?
The InChIKey is SRDBNPMBKHAKFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O2.ClH/c1-10(16-13(19)14(2,3)4)12(18)17(5)11-6-8-15-9-7-11;/h10-11,15H,6-9H2,1-5H3,(H,16,19);1H.
What are the key properties of 2,2-dimethyl-N-[1-[methyl(piperidin-4-yl)amino]-1-oxopropan-2-yl]propanamide;hydrochloride?
2,2-dimethyl-N-[1-[methyl(piperidin-4-yl)amino]-1-oxopropan-2-yl]propanamide;hydrochloride has a molecular weight of 305.85 g/mol, XLogP of 1.17, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-[1-[methyl(piperidin-4-yl)amino]-1-oxopropan-2-yl]propanamide;hydrochloride is sourced from PubChem (CID 119443872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).