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

C15H28Cl2N4O — CID 119869277

IUPACN-[2-(2-methylimidazol-1-yl)ethyl]-3-piperidin-3-ylbutanamide;dihydrochloride
SMILESCc1nccn1CCNC(=O)CC(C)C1CCCNC1.Cl.Cl
InChIInChI=1S/C15H26N4O.2ClH/c1-12(14-4-3-5-16-11-14)10-15(20)18-7-9-19-8-6-17-13(19)2;;/h6,8,12,14,16H,3-5,7,9-11H2,1-2H3,(H,18,20);2*1H
InChIKeyLMNQHFCJNULLBC-UHFFFAOYSA-N
MW351.32 g/mol
LogP2.18
Rot. Bonds6

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

N-[2-(2-methylimidazol-1-yl)ethyl]-3-piperidin-3-ylbutanamide;dihydrochloride (PubChem CID 119869277) has the molecular formula C15H28Cl2N4O and a molecular weight of 351.32 g/mol. Its IUPAC name is N-[2-(2-methylimidazol-1-yl)ethyl]-3-piperidin-3-ylbutanamide;dihydrochloride.

Molecular Properties

Compound NameN-[2-(2-methylimidazol-1-yl)ethyl]-3-piperidin-3-ylbutanamide;dihydrochloride
PubChem CID119869277
Molecular FormulaC15H28Cl2N4O
Molecular Weight351.32 g/mol
Exact Mass350.16
IUPAC NameN-[2-(2-methylimidazol-1-yl)ethyl]-3-piperidin-3-ylbutanamide;dihydrochloride
SMILESCc1nccn1CCNC(=O)CC(C)C1CCCNC1.Cl.Cl
InChIInChI=1S/C15H26N4O.2ClH/c1-12(14-4-3-5-16-11-14)10-15(20)18-7-9-19-8-6-17-13(19)2;;/h6,8,12,14,16H,3-5,7,9-11H2,1-2H3,(H,18,20);2*1H
InChIKeyLMNQHFCJNULLBC-UHFFFAOYSA-N
XLogP2.18
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.32
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(2-methylimidazol-1-yl)butyl]-3-piperidin-3-ylbutanamide;dihydrochloride
CID 119892478
N-[2-(2-methylpropanoylamino)ethyl]-3-piperidin-3-ylbutanamide;hydrochloride
CID 119687970
3-piperidin-3-yl-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]butanamide
CID 119902288
N-[[1-(2-phenylethyl)imidazol-2-yl]methyl]-3-piperidin-3-ylbutanamide
CID 119898673
N-[2-(1,3-dioxoisoindol-2-yl)ethyl]-3-piperidin-3-ylbutanamide;hydrochloride
CID 119741122
1-[2-[(2-methylimidazol-1-yl)methyl]pyrrolidin-1-yl]-3-piperidin-3-ylbutan-1-one
CID 119897765
N-[2-(2-methylimidazol-1-yl)-3-pyridinyl]-3-piperidin-3-ylbutanamide
CID 119847742
N-[2-(2-methylimidazol-1-yl)ethyl]pyrrolidine-3-carboxamide;dihydrochloride
CID 119869315
N-(2-morpholin-4-ylethyl)-3-piperidin-3-ylbutanamide;dihydrochloride
CID 119827786
N-butyl-3-piperidin-3-ylbutanamide;hydrochloride
CID 119671850
N-[(3-methyl-2-pyridinyl)methyl]-3-piperidin-3-ylbutanamide;dihydrochloride
CID 119869388
N-[3-(cyclopropylamino)-3-oxopropyl]-3-piperidin-3-ylbutanamide
CID 81044384

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methylimidazol-1-yl)ethyl]-3-piperidin-3-ylbutanamide;dihydrochloride?
The IUPAC name of N-[2-(2-methylimidazol-1-yl)ethyl]-3-piperidin-3-ylbutanamide;dihydrochloride (CID 119869277) is N-[2-(2-methylimidazol-1-yl)ethyl]-3-piperidin-3-ylbutanamide;dihydrochloride.
What is the SMILES notation for N-[2-(2-methylimidazol-1-yl)ethyl]-3-piperidin-3-ylbutanamide;dihydrochloride?
The canonical SMILES for N-[2-(2-methylimidazol-1-yl)ethyl]-3-piperidin-3-ylbutanamide;dihydrochloride is Cc1nccn1CCNC(=O)CC(C)C1CCCNC1.Cl.Cl.
What is the InChIKey of N-[2-(2-methylimidazol-1-yl)ethyl]-3-piperidin-3-ylbutanamide;dihydrochloride?
The InChIKey is LMNQHFCJNULLBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O.2ClH/c1-12(14-4-3-5-16-11-14)10-15(20)18-7-9-19-8-6-17-13(19)2;;/h6,8,12,14,16H,3-5,7,9-11H2,1-2H3,(H,18,20);2*1H.
What are the key properties of N-[2-(2-methylimidazol-1-yl)ethyl]-3-piperidin-3-ylbutanamide;dihydrochloride?
N-[2-(2-methylimidazol-1-yl)ethyl]-3-piperidin-3-ylbutanamide;dihydrochloride has a molecular weight of 351.32 g/mol, XLogP of 2.18, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methylimidazol-1-yl)ethyl]-3-piperidin-3-ylbutanamide;dihydrochloride is sourced from PubChem (CID 119869277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).