N-[4-(2-methylimidazol-1-yl)butyl]-3-piperidin-3-ylbutanamide;dihydrochloride

C17H32Cl2N4O — CID 119892478

IUPACN-[4-(2-methylimidazol-1-yl)butyl]-3-piperidin-3-ylbutanamide;dihydrochloride
SMILESCc1nccn1CCCCNC(=O)CC(C)C1CCCNC1.Cl.Cl
InChIInChI=1S/C17H30N4O.2ClH/c1-14(16-6-5-7-18-13-16)12-17(22)20-8-3-4-10-21-11-9-19-15(21)2;;/h9,11,14,16,18H,3-8,10,12-13H2,1-2H3,(H,20,22);2*1H
InChIKeyXRJZMULTPNKTOE-UHFFFAOYSA-N
MW379.38 g/mol
LogP2.96
Rot. Bonds8

About N-[4-(2-methylimidazol-1-yl)butyl]-3-piperidin-3-ylbutanamide;dihydrochloride

N-[4-(2-methylimidazol-1-yl)butyl]-3-piperidin-3-ylbutanamide;dihydrochloride (PubChem CID 119892478) has the molecular formula C17H32Cl2N4O and a molecular weight of 379.38 g/mol. Its IUPAC name is N-[4-(2-methylimidazol-1-yl)butyl]-3-piperidin-3-ylbutanamide;dihydrochloride.

Molecular Properties

Compound NameN-[4-(2-methylimidazol-1-yl)butyl]-3-piperidin-3-ylbutanamide;dihydrochloride
PubChem CID119892478
Molecular FormulaC17H32Cl2N4O
Molecular Weight379.38 g/mol
Exact Mass378.20
IUPAC NameN-[4-(2-methylimidazol-1-yl)butyl]-3-piperidin-3-ylbutanamide;dihydrochloride
SMILESCc1nccn1CCCCNC(=O)CC(C)C1CCCNC1.Cl.Cl
InChIInChI=1S/C17H30N4O.2ClH/c1-14(16-6-5-7-18-13-16)12-17(22)20-8-3-4-10-21-11-9-19-15(21)2;;/h9,11,14,16,18H,3-8,10,12-13H2,1-2H3,(H,20,22);2*1H
InChIKeyXRJZMULTPNKTOE-UHFFFAOYSA-N
XLogP2.96
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.38
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(2-methylimidazol-1-yl)ethyl]-3-piperidin-3-ylbutanamide;dihydrochloride
CID 119869277
N-butyl-3-piperidin-3-ylbutanamide;hydrochloride
CID 119671850
N-[4-(4-methylphenoxy)butyl]-3-piperidin-3-ylbutanamide;hydrochloride
CID 119722670
3-piperidin-3-yl-N-(3-piperidin-1-ylpropyl)butanamide;dihydrochloride
CID 119835530
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-(2-methylimidazol-1-yl)-3-pyridinyl]-3-piperidin-3-ylbutanamide
CID 119847742
N-[[1-(2-phenylethyl)imidazol-2-yl]methyl]-3-piperidin-3-ylbutanamide
CID 119898673
N-[4-(4-methylpiperidin-1-yl)butyl]-3-piperidin-3-ylbutanamide
CID 119852423
N-[3-(4-methylphenoxy)propyl]-3-piperidin-3-ylbutanamide
CID 119757253
N-[3-(2,5-dioxoimidazolidin-1-yl)propyl]-3-piperidin-3-ylbutanamide
CID 119779510
N-[4-(3,5-dimethylpiperidin-1-yl)butyl]-3-piperidin-3-ylbutanamide
CID 119852765

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-methylimidazol-1-yl)butyl]-3-piperidin-3-ylbutanamide;dihydrochloride?
The IUPAC name of N-[4-(2-methylimidazol-1-yl)butyl]-3-piperidin-3-ylbutanamide;dihydrochloride (CID 119892478) is N-[4-(2-methylimidazol-1-yl)butyl]-3-piperidin-3-ylbutanamide;dihydrochloride.
What is the SMILES notation for N-[4-(2-methylimidazol-1-yl)butyl]-3-piperidin-3-ylbutanamide;dihydrochloride?
The canonical SMILES for N-[4-(2-methylimidazol-1-yl)butyl]-3-piperidin-3-ylbutanamide;dihydrochloride is Cc1nccn1CCCCNC(=O)CC(C)C1CCCNC1.Cl.Cl.
What is the InChIKey of N-[4-(2-methylimidazol-1-yl)butyl]-3-piperidin-3-ylbutanamide;dihydrochloride?
The InChIKey is XRJZMULTPNKTOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N4O.2ClH/c1-14(16-6-5-7-18-13-16)12-17(22)20-8-3-4-10-21-11-9-19-15(21)2;;/h9,11,14,16,18H,3-8,10,12-13H2,1-2H3,(H,20,22);2*1H.
What are the key properties of N-[4-(2-methylimidazol-1-yl)butyl]-3-piperidin-3-ylbutanamide;dihydrochloride?
N-[4-(2-methylimidazol-1-yl)butyl]-3-piperidin-3-ylbutanamide;dihydrochloride has a molecular weight of 379.38 g/mol, XLogP of 2.96, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-methylimidazol-1-yl)butyl]-3-piperidin-3-ylbutanamide;dihydrochloride is sourced from PubChem (CID 119892478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).