N-methylidene-4-(4-methylpiperazin-1-yl)butanamide

C10H19N3O — CID 138481646

IUPACN-methylidene-4-(4-methylpiperazin-1-yl)butanamide
SMILESC=NC(=O)CCCN1CCN(C)CC1
InChIInChI=1S/C10H19N3O/c1-11-10(14)4-3-5-13-8-6-12(2)7-9-13/h1,3-9H2,2H3
InChIKeyCPGQEVXSLZNXPP-UHFFFAOYSA-N
MW197.28 g/mol
LogP0.24
Rot. Bonds4

About N-methylidene-4-(4-methylpiperazin-1-yl)butanamide

N-methylidene-4-(4-methylpiperazin-1-yl)butanamide (PubChem CID 138481646) has the molecular formula C10H19N3O and a molecular weight of 197.28 g/mol. Its IUPAC name is N-methylidene-4-(4-methylpiperazin-1-yl)butanamide.

Molecular Properties

Compound NameN-methylidene-4-(4-methylpiperazin-1-yl)butanamide
PubChem CID138481646
Molecular FormulaC10H19N3O
Molecular Weight197.28 g/mol
Exact Mass197.15
IUPAC NameN-methylidene-4-(4-methylpiperazin-1-yl)butanamide
SMILESC=NC(=O)CCCN1CCN(C)CC1
InChIInChI=1S/C10H19N3O/c1-11-10(14)4-3-5-13-8-6-12(2)7-9-13/h1,3-9H2,2H3
InChIKeyCPGQEVXSLZNXPP-UHFFFAOYSA-N
XLogP0.24
TPSA35.91 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 50.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

ethane;methyl 4-(4-methylpiperazin-1-yl)butanoate
CID 171562662
4-(4-methyl-1,4-diazepan-1-yl)butanamide
CID 175411586
N'-hydroxy-4-(4-methylpiperazin-1-yl)butanimidamide
CID 24689656
6-methyl-1-(4-methylpiperazin-1-yl)heptan-4-one
CID 159995682
7-(4-methylpiperazin-1-yl)heptanoyl chloride;hydrochloride
CID 87608449
10-(4-methylpiperazin-1-yl)decan-1-ol;12-(4-methylpiperazin-1-yl)dodecan-1-ol
CID 22218533
1-methyl-4-(4-piperidin-1-ylbutyl)piperazine
CID 54547768
(4E)-8-(4-methylpiperazin-1-yl)-4-prop-2-enylideneoct-1-en-3-one
CID 88915065
ethane;1-methyl-4-pentylpiperazine
CID 145099418
1-(4-methylpent-4-enyl)aziridine
CID 163465690
N-[4-(4-methylpiperazin-1-yl)butyl]acetamide
CID 110459248
1,4,7-trimethyl-10-[2-(4,7,10-trimethyl-1,4,7,10-tetrazacyclododec-1-yl)ethyl]-1,4,7,10-tetrazacyclododecane
CID 21130153

Frequently Asked Questions

What is the IUPAC name of N-methylidene-4-(4-methylpiperazin-1-yl)butanamide?
The IUPAC name of N-methylidene-4-(4-methylpiperazin-1-yl)butanamide (CID 138481646) is N-methylidene-4-(4-methylpiperazin-1-yl)butanamide.
What is the SMILES notation for N-methylidene-4-(4-methylpiperazin-1-yl)butanamide?
The canonical SMILES for N-methylidene-4-(4-methylpiperazin-1-yl)butanamide is C=NC(=O)CCCN1CCN(C)CC1.
What is the InChIKey of N-methylidene-4-(4-methylpiperazin-1-yl)butanamide?
The InChIKey is CPGQEVXSLZNXPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O/c1-11-10(14)4-3-5-13-8-6-12(2)7-9-13/h1,3-9H2,2H3.
What are the key properties of N-methylidene-4-(4-methylpiperazin-1-yl)butanamide?
N-methylidene-4-(4-methylpiperazin-1-yl)butanamide has a molecular weight of 197.28 g/mol, XLogP of 0.24, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methylidene-4-(4-methylpiperazin-1-yl)butanamide is sourced from PubChem (CID 138481646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).