N-[3-(4-methylpiperazin-1-yl)propyl]-3-piperidin-4-ylbutanamide

C17H34N4O — CID 119901093

IUPACN-[3-(4-methylpiperazin-1-yl)propyl]-3-piperidin-4-ylbutanamide
SMILESCC(CC(=O)NCCCN1CCN(C)CC1)C1CCNCC1
InChIInChI=1S/C17H34N4O/c1-15(16-4-7-18-8-5-16)14-17(22)19-6-3-9-21-12-10-20(2)11-13-21/h15-16,18H,3-14H2,1-2H3,(H,19,22)
InChIKeyZLQKHRWRDSYQQC-UHFFFAOYSA-N
MW310.49 g/mol
LogP0.77
Rot. Bonds7

About N-[3-(4-methylpiperazin-1-yl)propyl]-3-piperidin-4-ylbutanamide

N-[3-(4-methylpiperazin-1-yl)propyl]-3-piperidin-4-ylbutanamide (PubChem CID 119901093) has the molecular formula C17H34N4O and a molecular weight of 310.49 g/mol. Its IUPAC name is N-[3-(4-methylpiperazin-1-yl)propyl]-3-piperidin-4-ylbutanamide.

Molecular Properties

Compound NameN-[3-(4-methylpiperazin-1-yl)propyl]-3-piperidin-4-ylbutanamide
PubChem CID119901093
Molecular FormulaC17H34N4O
Molecular Weight310.49 g/mol
Exact Mass310.27
IUPAC NameN-[3-(4-methylpiperazin-1-yl)propyl]-3-piperidin-4-ylbutanamide
SMILESCC(CC(=O)NCCCN1CCN(C)CC1)C1CCNCC1
InChIInChI=1S/C17H34N4O/c1-15(16-4-7-18-8-5-16)14-17(22)19-6-3-9-21-12-10-20(2)11-13-21/h15-16,18H,3-14H2,1-2H3,(H,19,22)
InChIKeyZLQKHRWRDSYQQC-UHFFFAOYSA-N
XLogP0.77
TPSA47.61 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.49
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[3-(4-methylpiperazin-1-yl)propyl]-3-piperidin-4-ylbutanamide with MolForge

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Related Compounds

methyl 4-(3-piperidin-4-ylbutanoylamino)butanoate
CID 119684765
3-piperidin-3-yl-N-(3-piperidin-1-ylpropyl)butanamide;dihydrochloride
CID 119835530
N-(3-ethoxypropyl)-3-piperidin-4-ylbutanamide
CID 119675581
3-piperidin-4-yl-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]butanamide
CID 119902308
N-(3-ethoxypropyl)-3-piperidin-4-ylbutanamide;hydrochloride
CID 119675580
N-[3-(2-methoxyethoxy)propyl]-3-piperidin-4-ylbutanamide
CID 119693914
N-[4-(4-methylpiperidin-1-yl)butyl]-3-piperidin-3-ylbutanamide
CID 119852423
N-(2-methoxyethyl)-3-piperidin-4-ylbutanamide;hydrochloride
CID 119669583
3-piperidin-4-yl-N-[2-(propan-2-ylsulfamoyl)ethyl]butanamide
CID 119758906
2-(azetidin-3-yl)-N-[3-(4-methylpiperazin-1-yl)propyl]acetamide
CID 64610391
N-[2-(2,2-dimethylmorpholin-4-yl)ethyl]-3-piperidin-4-ylbutanamide;dihydrochloride
CID 119868921
N-[3-(4-methylpiperazin-1-yl)propyl]pyrrolidine-3-carboxamide
CID 55150802

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-methylpiperazin-1-yl)propyl]-3-piperidin-4-ylbutanamide?
The IUPAC name of N-[3-(4-methylpiperazin-1-yl)propyl]-3-piperidin-4-ylbutanamide (CID 119901093) is N-[3-(4-methylpiperazin-1-yl)propyl]-3-piperidin-4-ylbutanamide.
What is the SMILES notation for N-[3-(4-methylpiperazin-1-yl)propyl]-3-piperidin-4-ylbutanamide?
The canonical SMILES for N-[3-(4-methylpiperazin-1-yl)propyl]-3-piperidin-4-ylbutanamide is CC(CC(=O)NCCCN1CCN(C)CC1)C1CCNCC1.
What is the InChIKey of N-[3-(4-methylpiperazin-1-yl)propyl]-3-piperidin-4-ylbutanamide?
The InChIKey is ZLQKHRWRDSYQQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N4O/c1-15(16-4-7-18-8-5-16)14-17(22)19-6-3-9-21-12-10-20(2)11-13-21/h15-16,18H,3-14H2,1-2H3,(H,19,22).
What are the key properties of N-[3-(4-methylpiperazin-1-yl)propyl]-3-piperidin-4-ylbutanamide?
N-[3-(4-methylpiperazin-1-yl)propyl]-3-piperidin-4-ylbutanamide has a molecular weight of 310.49 g/mol, XLogP of 0.77, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-methylpiperazin-1-yl)propyl]-3-piperidin-4-ylbutanamide is sourced from PubChem (CID 119901093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).