N-(2-amino-2-oxoethyl)-3-piperidin-4-yl-N-propan-2-ylbutanamide;hydrochloride

C14H28ClN3O2 — CID 119684345

IUPACN-(2-amino-2-oxoethyl)-3-piperidin-4-yl-N-propan-2-ylbutanamide;hydrochloride
SMILESCC(CC(=O)N(CC(N)=O)C(C)C)C1CCNCC1.Cl
InChIInChI=1S/C14H27N3O2.ClH/c1-10(2)17(9-13(15)18)14(19)8-11(3)12-4-6-16-7-5-12;/h10-12,16H,4-9H2,1-3H3,(H2,15,18);1H
InChIKeyQSHXMULKFOTDRE-UHFFFAOYSA-N
MW305.85 g/mol
LogP1.16
Rot. Bonds6

About N-(2-amino-2-oxoethyl)-3-piperidin-4-yl-N-propan-2-ylbutanamide;hydrochloride

N-(2-amino-2-oxoethyl)-3-piperidin-4-yl-N-propan-2-ylbutanamide;hydrochloride (PubChem CID 119684345) has the molecular formula C14H28ClN3O2 and a molecular weight of 305.85 g/mol. Its IUPAC name is N-(2-amino-2-oxoethyl)-3-piperidin-4-yl-N-propan-2-ylbutanamide;hydrochloride.

Molecular Properties

Compound NameN-(2-amino-2-oxoethyl)-3-piperidin-4-yl-N-propan-2-ylbutanamide;hydrochloride
PubChem CID119684345
Molecular FormulaC14H28ClN3O2
Molecular Weight305.85 g/mol
Exact Mass305.19
IUPAC NameN-(2-amino-2-oxoethyl)-3-piperidin-4-yl-N-propan-2-ylbutanamide;hydrochloride
SMILESCC(CC(=O)N(CC(N)=O)C(C)C)C1CCNCC1.Cl
InChIInChI=1S/C14H27N3O2.ClH/c1-10(2)17(9-13(15)18)14(19)8-11(3)12-4-6-16-7-5-12;/h10-12,16H,4-9H2,1-3H3,(H2,15,18);1H
InChIKeyQSHXMULKFOTDRE-UHFFFAOYSA-N
XLogP1.16
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.85
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-amino-2-oxoethyl)-N-(2-methylpropyl)-3-piperidin-4-ylbutanamide
CID 119728999
N-(2-amino-2-oxoethyl)-3-piperidin-4-yl-N-propan-2-ylpropanamide
CID 55133656
2-[(2-piperidin-4-ylsulfanylacetyl)-propan-2-ylamino]acetamide
CID 114626630
N-(2-methylpropyl)-N-pentan-3-yl-3-piperidin-4-ylbutanamide;hydrochloride
CID 119816024
N-(2-amino-2-oxoethyl)-N-benzyl-3-piperidin-4-ylbutanamide
CID 119783037
N-(dicyclopropylmethyl)-N-methyl-3-piperidin-4-ylbutanamide;hydrochloride
CID 119760613
N-cyclopropyl-N-ethyl-3-piperidin-4-ylbutanamide
CID 119718930
N-(4,4-dimethylcyclohexyl)-N-methyl-3-piperidin-4-ylbutanamide;hydrochloride
CID 119791939
N-ethyl-N-(2-methylbutyl)-3-piperidin-4-ylbutanamide;hydrochloride
CID 119816159
N-ethyl-N-(2-methylpropyl)-3-piperidin-4-ylbutanamide
CID 119732319
N-cyclopropyl-N-(1-methylsulfonylpropan-2-yl)-3-piperidin-4-ylbutanamide;hydrochloride
CID 119785653
3-piperidin-4-yl-1-pyrrolidin-1-ylbutan-1-one;hydrochloride
CID 119669978

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-oxoethyl)-3-piperidin-4-yl-N-propan-2-ylbutanamide;hydrochloride?
The IUPAC name of N-(2-amino-2-oxoethyl)-3-piperidin-4-yl-N-propan-2-ylbutanamide;hydrochloride (CID 119684345) is N-(2-amino-2-oxoethyl)-3-piperidin-4-yl-N-propan-2-ylbutanamide;hydrochloride.
What is the SMILES notation for N-(2-amino-2-oxoethyl)-3-piperidin-4-yl-N-propan-2-ylbutanamide;hydrochloride?
The canonical SMILES for N-(2-amino-2-oxoethyl)-3-piperidin-4-yl-N-propan-2-ylbutanamide;hydrochloride is CC(CC(=O)N(CC(N)=O)C(C)C)C1CCNCC1.Cl.
What is the InChIKey of N-(2-amino-2-oxoethyl)-3-piperidin-4-yl-N-propan-2-ylbutanamide;hydrochloride?
The InChIKey is QSHXMULKFOTDRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O2.ClH/c1-10(2)17(9-13(15)18)14(19)8-11(3)12-4-6-16-7-5-12;/h10-12,16H,4-9H2,1-3H3,(H2,15,18);1H.
What are the key properties of N-(2-amino-2-oxoethyl)-3-piperidin-4-yl-N-propan-2-ylbutanamide;hydrochloride?
N-(2-amino-2-oxoethyl)-3-piperidin-4-yl-N-propan-2-ylbutanamide;hydrochloride has a molecular weight of 305.85 g/mol, XLogP of 1.16, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-oxoethyl)-3-piperidin-4-yl-N-propan-2-ylbutanamide;hydrochloride is sourced from PubChem (CID 119684345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).