3-methyl-N-(3-piperazin-1-ylpropyl)-2-piperidin-1-ylbutanamide;dihydrochloride

C17H36Cl2N4O — CID 119392993

IUPAC3-methyl-N-(3-piperazin-1-ylpropyl)-2-piperidin-1-ylbutanamide;dihydrochloride
SMILESCC(C)C(C(=O)NCCCN1CCNCC1)N1CCCCC1.Cl.Cl
InChIInChI=1S/C17H34N4O.2ClH/c1-15(2)16(21-11-4-3-5-12-21)17(22)19-7-6-10-20-13-8-18-9-14-20;;/h15-16,18H,3-14H2,1-2H3,(H,19,22);2*1H
InChIKeyMKRNLGURMUTMPR-UHFFFAOYSA-N
MW383.41 g/mol
LogP1.75
Rot. Bonds7

About 3-methyl-N-(3-piperazin-1-ylpropyl)-2-piperidin-1-ylbutanamide;dihydrochloride

3-methyl-N-(3-piperazin-1-ylpropyl)-2-piperidin-1-ylbutanamide;dihydrochloride (PubChem CID 119392993) has the molecular formula C17H36Cl2N4O and a molecular weight of 383.41 g/mol. Its IUPAC name is 3-methyl-N-(3-piperazin-1-ylpropyl)-2-piperidin-1-ylbutanamide;dihydrochloride.

Molecular Properties

Compound Name3-methyl-N-(3-piperazin-1-ylpropyl)-2-piperidin-1-ylbutanamide;dihydrochloride
PubChem CID119392993
Molecular FormulaC17H36Cl2N4O
Molecular Weight383.41 g/mol
Exact Mass382.23
IUPAC Name3-methyl-N-(3-piperazin-1-ylpropyl)-2-piperidin-1-ylbutanamide;dihydrochloride
SMILESCC(C)C(C(=O)NCCCN1CCNCC1)N1CCCCC1.Cl.Cl
InChIInChI=1S/C17H34N4O.2ClH/c1-15(2)16(21-11-4-3-5-12-21)17(22)19-7-6-10-20-13-8-18-9-14-20;;/h15-16,18H,3-14H2,1-2H3,(H,19,22);2*1H
InChIKeyMKRNLGURMUTMPR-UHFFFAOYSA-N
XLogP1.75
TPSA47.61 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.41
LogP ≤ 51.75
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

3-ethyl-2-morpholin-4-yl-N-(3-piperazin-1-ylpropyl)pentanamide;dihydrochloride
CID 119393081
2-ethyl-N-(3-piperazin-1-ylpropyl)butanamide;hydrochloride
CID 119393199
3-methyl-2-phenyl-N-(3-piperazin-1-ylpropyl)butanamide;hydrochloride
CID 119391045
3-methyl-1-piperazin-1-yl-2-piperidin-1-ylbutan-1-one;dihydrochloride
CID 119402338
3,5-dimethyl-N-(3-piperazin-1-ylpropyl)hexanamide;hydrochloride
CID 119393526
3-methyl-N-[3-oxo-3-(3-piperazin-1-ylpropylamino)propyl]butanamide;hydrochloride
CID 119390933
N-[4-oxo-4-(3-piperazin-1-ylpropylamino)butan-2-yl]cyclopentanecarboxamide;hydrochloride
CID 119394023
3-amino-2-methyl-N-(3-piperidin-1-ylpropyl)butanamide;dihydrochloride
CID 120502610
2-(3-methylbutylsulfanyl)-N-(3-piperazin-1-ylpropyl)acetamide;hydrochloride
CID 119393490
2-(3-methylbutoxy)-N-(3-piperazin-1-ylpropyl)propanamide
CID 119392976
2-acetamido-2-cyclopentyl-N-(3-piperazin-1-ylpropyl)acetamide;hydrochloride
CID 119391186
3,3-dimethyl-N-(3-piperazin-1-ylpropyl)butanamide;hydrochloride
CID 119391133

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(3-piperazin-1-ylpropyl)-2-piperidin-1-ylbutanamide;dihydrochloride?
The IUPAC name of 3-methyl-N-(3-piperazin-1-ylpropyl)-2-piperidin-1-ylbutanamide;dihydrochloride (CID 119392993) is 3-methyl-N-(3-piperazin-1-ylpropyl)-2-piperidin-1-ylbutanamide;dihydrochloride.
What is the SMILES notation for 3-methyl-N-(3-piperazin-1-ylpropyl)-2-piperidin-1-ylbutanamide;dihydrochloride?
The canonical SMILES for 3-methyl-N-(3-piperazin-1-ylpropyl)-2-piperidin-1-ylbutanamide;dihydrochloride is CC(C)C(C(=O)NCCCN1CCNCC1)N1CCCCC1.Cl.Cl.
What is the InChIKey of 3-methyl-N-(3-piperazin-1-ylpropyl)-2-piperidin-1-ylbutanamide;dihydrochloride?
The InChIKey is MKRNLGURMUTMPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N4O.2ClH/c1-15(2)16(21-11-4-3-5-12-21)17(22)19-7-6-10-20-13-8-18-9-14-20;;/h15-16,18H,3-14H2,1-2H3,(H,19,22);2*1H.
What are the key properties of 3-methyl-N-(3-piperazin-1-ylpropyl)-2-piperidin-1-ylbutanamide;dihydrochloride?
3-methyl-N-(3-piperazin-1-ylpropyl)-2-piperidin-1-ylbutanamide;dihydrochloride has a molecular weight of 383.41 g/mol, XLogP of 1.75, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(3-piperazin-1-ylpropyl)-2-piperidin-1-ylbutanamide;dihydrochloride is sourced from PubChem (CID 119392993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).