N-[3-(diethylamino)propyl]-3-piperidin-3-ylbutanamide;dihydrochloride

C16H35Cl2N3O — CID 119828131

IUPACN-[3-(diethylamino)propyl]-3-piperidin-3-ylbutanamide;dihydrochloride
SMILESCCN(CC)CCCNC(=O)CC(C)C1CCCNC1.Cl.Cl
InChIInChI=1S/C16H33N3O.2ClH/c1-4-19(5-2)11-7-10-18-16(20)12-14(3)15-8-6-9-17-13-15;;/h14-15,17H,4-13H2,1-3H3,(H,18,20);2*1H
InChIKeySJUNQGFCDKKZJG-UHFFFAOYSA-N
MW356.38 g/mol
LogP2.70
Rot. Bonds9

About N-[3-(diethylamino)propyl]-3-piperidin-3-ylbutanamide;dihydrochloride

N-[3-(diethylamino)propyl]-3-piperidin-3-ylbutanamide;dihydrochloride (PubChem CID 119828131) has the molecular formula C16H35Cl2N3O and a molecular weight of 356.38 g/mol. Its IUPAC name is N-[3-(diethylamino)propyl]-3-piperidin-3-ylbutanamide;dihydrochloride.

Molecular Properties

Compound NameN-[3-(diethylamino)propyl]-3-piperidin-3-ylbutanamide;dihydrochloride
PubChem CID119828131
Molecular FormulaC16H35Cl2N3O
Molecular Weight356.38 g/mol
Exact Mass355.22
IUPAC NameN-[3-(diethylamino)propyl]-3-piperidin-3-ylbutanamide;dihydrochloride
SMILESCCN(CC)CCCNC(=O)CC(C)C1CCCNC1.Cl.Cl
InChIInChI=1S/C16H33N3O.2ClH/c1-4-19(5-2)11-7-10-18-16(20)12-14(3)15-8-6-9-17-13-15;;/h14-15,17H,4-13H2,1-3H3,(H,18,20);2*1H
InChIKeySJUNQGFCDKKZJG-UHFFFAOYSA-N
XLogP2.70
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.38
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-butyl-3-piperidin-3-ylbutanamide;hydrochloride
CID 119671850
N-[2-(2-methylpropanoylamino)ethyl]-3-piperidin-3-ylbutanamide;hydrochloride
CID 119687970
N-(3-cyclohexylpropyl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119724260
N-[4-(cyclopropylamino)-4-oxobutyl]-3-piperidin-3-ylbutanamide;hydrochloride
CID 119728333
N-(2-ethylsulfonylethyl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119773434
2-methyl-5-(3-piperidin-3-ylbutanoylamino)pentanoic acid
CID 115867286
N-[2-oxo-2-(propylamino)ethyl]-3-piperidin-3-ylbutanamide
CID 81044804
3-piperidin-3-yl-N-(3-piperidin-1-ylpropyl)butanamide;dihydrochloride
CID 119835530
N-[2-(ethylsulfonylamino)ethyl]-3-piperidin-3-ylbutanamide;hydrochloride
CID 119723723
N-[3-(cyclopropylamino)-3-oxopropyl]-3-piperidin-3-ylbutanamide
CID 81044384
2-methyl-4-(3-piperidin-3-ylbutanoylamino)butanoic acid
CID 81044471
N-[2-(N-ethyl-2-methylanilino)ethyl]-3-piperidin-3-ylbutanamide;dihydrochloride
CID 119853418

Frequently Asked Questions

What is the IUPAC name of N-[3-(diethylamino)propyl]-3-piperidin-3-ylbutanamide;dihydrochloride?
The IUPAC name of N-[3-(diethylamino)propyl]-3-piperidin-3-ylbutanamide;dihydrochloride (CID 119828131) is N-[3-(diethylamino)propyl]-3-piperidin-3-ylbutanamide;dihydrochloride.
What is the SMILES notation for N-[3-(diethylamino)propyl]-3-piperidin-3-ylbutanamide;dihydrochloride?
The canonical SMILES for N-[3-(diethylamino)propyl]-3-piperidin-3-ylbutanamide;dihydrochloride is CCN(CC)CCCNC(=O)CC(C)C1CCCNC1.Cl.Cl.
What is the InChIKey of N-[3-(diethylamino)propyl]-3-piperidin-3-ylbutanamide;dihydrochloride?
The InChIKey is SJUNQGFCDKKZJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33N3O.2ClH/c1-4-19(5-2)11-7-10-18-16(20)12-14(3)15-8-6-9-17-13-15;;/h14-15,17H,4-13H2,1-3H3,(H,18,20);2*1H.
What are the key properties of N-[3-(diethylamino)propyl]-3-piperidin-3-ylbutanamide;dihydrochloride?
N-[3-(diethylamino)propyl]-3-piperidin-3-ylbutanamide;dihydrochloride has a molecular weight of 356.38 g/mol, XLogP of 2.70, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(diethylamino)propyl]-3-piperidin-3-ylbutanamide;dihydrochloride is sourced from PubChem (CID 119828131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).