N-[2-oxo-2-(propylamino)ethyl]-3-piperidin-3-yl-N-propylbutanamide;hydrochloride

C17H34ClN3O2 — CID 119741250

IUPACN-[2-oxo-2-(propylamino)ethyl]-3-piperidin-3-yl-N-propylbutanamide;hydrochloride
SMILESCCCNC(=O)CN(CCC)C(=O)CC(C)C1CCCNC1.Cl
InChIInChI=1S/C17H33N3O2.ClH/c1-4-8-19-16(21)13-20(10-5-2)17(22)11-14(3)15-7-6-9-18-12-15;/h14-15,18H,4-13H2,1-3H3,(H,19,21);1H
InChIKeyABMALLZKHHVKOU-UHFFFAOYSA-N
MW347.93 g/mol
LogP2.20
Rot. Bonds9

About N-[2-oxo-2-(propylamino)ethyl]-3-piperidin-3-yl-N-propylbutanamide;hydrochloride

N-[2-oxo-2-(propylamino)ethyl]-3-piperidin-3-yl-N-propylbutanamide;hydrochloride (PubChem CID 119741250) has the molecular formula C17H34ClN3O2 and a molecular weight of 347.93 g/mol. Its IUPAC name is N-[2-oxo-2-(propylamino)ethyl]-3-piperidin-3-yl-N-propylbutanamide;hydrochloride.

Molecular Properties

Compound NameN-[2-oxo-2-(propylamino)ethyl]-3-piperidin-3-yl-N-propylbutanamide;hydrochloride
PubChem CID119741250
Molecular FormulaC17H34ClN3O2
Molecular Weight347.93 g/mol
Exact Mass347.23
IUPAC NameN-[2-oxo-2-(propylamino)ethyl]-3-piperidin-3-yl-N-propylbutanamide;hydrochloride
SMILESCCCNC(=O)CN(CCC)C(=O)CC(C)C1CCCNC1.Cl
InChIInChI=1S/C17H33N3O2.ClH/c1-4-8-19-16(21)13-20(10-5-2)17(22)11-14(3)15-7-6-9-18-12-15;/h14-15,18H,4-13H2,1-3H3,(H,19,21);1H
InChIKeyABMALLZKHHVKOU-UHFFFAOYSA-N
XLogP2.20
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.93
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-piperidin-3-yl-N,N-dipropylbutanamide
CID 81043811
N-[2-oxo-2-(propylamino)ethyl]-N-propylpiperidine-3-carboxamide;hydrochloride
CID 119299137
N-[2-oxo-2-(propylamino)ethyl]-3-piperidin-3-ylbutanamide
CID 81044804
N-butyl-3-piperidin-3-ylbutanamide;hydrochloride
CID 119671850
N-methyl-3-piperidin-3-yl-N-propylbutanamide
CID 81043827
3-piperidin-3-yl-N-propan-2-yl-N-propylbutanamide
CID 81043730
N-[3-(diethylamino)propyl]-3-piperidin-3-ylbutanamide;dihydrochloride
CID 119828131
N,N-bis(cyclopropylmethyl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119791148
N-butyl-N-methyl-3-piperidin-3-ylbutanamide;hydrochloride
CID 119672315
N-[2-(2-methylpropanoylamino)ethyl]-3-piperidin-3-ylbutanamide;hydrochloride
CID 119687970
N-(2-ethylsulfonylethyl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119773434
N-butan-2-yl-N-butyl-3-piperidin-3-ylbutanamide
CID 81043746

Frequently Asked Questions

What is the IUPAC name of N-[2-oxo-2-(propylamino)ethyl]-3-piperidin-3-yl-N-propylbutanamide;hydrochloride?
The IUPAC name of N-[2-oxo-2-(propylamino)ethyl]-3-piperidin-3-yl-N-propylbutanamide;hydrochloride (CID 119741250) is N-[2-oxo-2-(propylamino)ethyl]-3-piperidin-3-yl-N-propylbutanamide;hydrochloride.
What is the SMILES notation for N-[2-oxo-2-(propylamino)ethyl]-3-piperidin-3-yl-N-propylbutanamide;hydrochloride?
The canonical SMILES for N-[2-oxo-2-(propylamino)ethyl]-3-piperidin-3-yl-N-propylbutanamide;hydrochloride is CCCNC(=O)CN(CCC)C(=O)CC(C)C1CCCNC1.Cl.
What is the InChIKey of N-[2-oxo-2-(propylamino)ethyl]-3-piperidin-3-yl-N-propylbutanamide;hydrochloride?
The InChIKey is ABMALLZKHHVKOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33N3O2.ClH/c1-4-8-19-16(21)13-20(10-5-2)17(22)11-14(3)15-7-6-9-18-12-15;/h14-15,18H,4-13H2,1-3H3,(H,19,21);1H.
What are the key properties of N-[2-oxo-2-(propylamino)ethyl]-3-piperidin-3-yl-N-propylbutanamide;hydrochloride?
N-[2-oxo-2-(propylamino)ethyl]-3-piperidin-3-yl-N-propylbutanamide;hydrochloride has a molecular weight of 347.93 g/mol, XLogP of 2.20, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-oxo-2-(propylamino)ethyl]-3-piperidin-3-yl-N-propylbutanamide;hydrochloride is sourced from PubChem (CID 119741250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).