3-piperidin-3-yl-N-(3-piperidin-1-ylpropyl)butanamide;dihydrochloride

C17H35Cl2N3O — CID 119835530

IUPAC3-piperidin-3-yl-N-(3-piperidin-1-ylpropyl)butanamide;dihydrochloride
SMILESCC(CC(=O)NCCCN1CCCCC1)C1CCCNC1.Cl.Cl
InChIInChI=1S/C17H33N3O.2ClH/c1-15(16-7-5-8-18-14-16)13-17(21)19-9-6-12-20-10-3-2-4-11-20;;/h15-16,18H,2-14H2,1H3,(H,19,21);2*1H
InChIKeyLHOAJIMFEMIZMK-UHFFFAOYSA-N
MW368.39 g/mol
LogP2.85
Rot. Bonds7

About 3-piperidin-3-yl-N-(3-piperidin-1-ylpropyl)butanamide;dihydrochloride

3-piperidin-3-yl-N-(3-piperidin-1-ylpropyl)butanamide;dihydrochloride (PubChem CID 119835530) has the molecular formula C17H35Cl2N3O and a molecular weight of 368.39 g/mol. Its IUPAC name is 3-piperidin-3-yl-N-(3-piperidin-1-ylpropyl)butanamide;dihydrochloride.

Molecular Properties

Compound Name3-piperidin-3-yl-N-(3-piperidin-1-ylpropyl)butanamide;dihydrochloride
PubChem CID119835530
Molecular FormulaC17H35Cl2N3O
Molecular Weight368.39 g/mol
Exact Mass367.22
IUPAC Name3-piperidin-3-yl-N-(3-piperidin-1-ylpropyl)butanamide;dihydrochloride
SMILESCC(CC(=O)NCCCN1CCCCC1)C1CCCNC1.Cl.Cl
InChIInChI=1S/C17H33N3O.2ClH/c1-15(16-7-5-8-18-14-16)13-17(21)19-9-6-12-20-10-3-2-4-11-20;;/h15-16,18H,2-14H2,1H3,(H,19,21);2*1H
InChIKeyLHOAJIMFEMIZMK-UHFFFAOYSA-N
XLogP2.85
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.39
LogP ≤ 52.85
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-[4-(4-methylpiperidin-1-yl)butyl]-3-piperidin-3-ylbutanamide
CID 119852423
N-butyl-3-piperidin-3-ylbutanamide;hydrochloride
CID 119671850
N-(2-morpholin-4-ylethyl)-3-piperidin-3-ylbutanamide;dihydrochloride
CID 119827786
N-[4-(3,5-dimethylpiperidin-1-yl)butyl]-3-piperidin-3-ylbutanamide
CID 119852765
N-(2-morpholin-4-ylethyl)-3-piperidin-3-ylbutanamide
CID 81043564
N-[3-(2-oxopyrrolidin-1-yl)propyl]-3-piperidin-3-ylbutanamide;hydrochloride
CID 119671581
N-(3-cyclohexylpropyl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119724260
N-[2-(2-methylpropanoylamino)ethyl]-3-piperidin-3-ylbutanamide;hydrochloride
CID 119687970
N-[4-(cyclopropylamino)-4-oxobutyl]-3-piperidin-3-ylbutanamide;hydrochloride
CID 119728333
N-(2-oxo-2-pyrrolidin-1-ylethyl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119700669
N-(2-ethylsulfonylethyl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119773434
N-(2-oxo-2-piperidin-1-ylethyl)-3-piperidin-3-ylbutanamide
CID 115738352

Frequently Asked Questions

What is the IUPAC name of 3-piperidin-3-yl-N-(3-piperidin-1-ylpropyl)butanamide;dihydrochloride?
The IUPAC name of 3-piperidin-3-yl-N-(3-piperidin-1-ylpropyl)butanamide;dihydrochloride (CID 119835530) is 3-piperidin-3-yl-N-(3-piperidin-1-ylpropyl)butanamide;dihydrochloride.
What is the SMILES notation for 3-piperidin-3-yl-N-(3-piperidin-1-ylpropyl)butanamide;dihydrochloride?
The canonical SMILES for 3-piperidin-3-yl-N-(3-piperidin-1-ylpropyl)butanamide;dihydrochloride is CC(CC(=O)NCCCN1CCCCC1)C1CCCNC1.Cl.Cl.
What is the InChIKey of 3-piperidin-3-yl-N-(3-piperidin-1-ylpropyl)butanamide;dihydrochloride?
The InChIKey is LHOAJIMFEMIZMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33N3O.2ClH/c1-15(16-7-5-8-18-14-16)13-17(21)19-9-6-12-20-10-3-2-4-11-20;;/h15-16,18H,2-14H2,1H3,(H,19,21);2*1H.
What are the key properties of 3-piperidin-3-yl-N-(3-piperidin-1-ylpropyl)butanamide;dihydrochloride?
3-piperidin-3-yl-N-(3-piperidin-1-ylpropyl)butanamide;dihydrochloride has a molecular weight of 368.39 g/mol, XLogP of 2.85, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-piperidin-3-yl-N-(3-piperidin-1-ylpropyl)butanamide;dihydrochloride is sourced from PubChem (CID 119835530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).