2-methylidene-4-piperazin-1-ylbutanamide

C9H17N3O — CID 67537547

IUPAC2-methylidene-4-piperazin-1-ylbutanamide
SMILESC=C(CCN1CCNCC1)C(N)=O
InChIInChI=1S/C9H17N3O/c1-8(9(10)13)2-5-12-6-3-11-4-7-12/h11H,1-7H2,(H2,10,13)
InChIKeyCSIONSGBLDIWPJ-UHFFFAOYSA-N
MW183.25 g/mol
LogP-0.68
Rot. Bonds4

About 2-methylidene-4-piperazin-1-ylbutanamide

2-methylidene-4-piperazin-1-ylbutanamide (PubChem CID 67537547) has the molecular formula C9H17N3O and a molecular weight of 183.25 g/mol. Its IUPAC name is 2-methylidene-4-piperazin-1-ylbutanamide.

Molecular Properties

Compound Name2-methylidene-4-piperazin-1-ylbutanamide
PubChem CID67537547
Molecular FormulaC9H17N3O
Molecular Weight183.25 g/mol
Exact Mass183.14
IUPAC Name2-methylidene-4-piperazin-1-ylbutanamide
SMILESC=C(CCN1CCNCC1)C(N)=O
InChIInChI=1S/C9H17N3O/c1-8(9(10)13)2-5-12-6-3-11-4-7-12/h11H,1-7H2,(H2,10,13)
InChIKeyCSIONSGBLDIWPJ-UHFFFAOYSA-N
XLogP-0.68
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 5-0.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

3-(1,4,7,10,13-pentazacyclopentadec-1-yl)propanoic acid
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ethyl 3-[7-(3-ethoxy-3-oxopropyl)-1,4,7,10-tetrazacyclododec-1-yl]propanoate
CID 132559455
3-(1,4-diazepan-1-yl)propanethioamide
CID 82162725
1-(4-methylpiperazin-1-yl)-3-piperazin-1-ylpropan-1-one
CID 22120281
(Z)-18-piperazin-1-yloctadec-9-enamide
CID 67992016
6-piperazin-1-ylhexanoic acid
CID 54010280
ethene;2-piperazin-1-ylethanol
CID 175244492
2-methylidenepentanamide;morpholine
CID 68557838
1-morpholin-4-yl-3-piperazin-1-ylpropan-1-one;dihydrochloride
CID 53415361
1-[(Z)-2-(2-piperazin-1-ylethyl)but-2-enyl]piperazine
CID 70026988
2-piperazin-1-ylethyl carbonochloridate
CID 19711096
2-methyl-N-(5-piperazin-1-ylpentyl)prop-2-enamide
CID 18464110

Frequently Asked Questions

What is the IUPAC name of 2-methylidene-4-piperazin-1-ylbutanamide?
The IUPAC name of 2-methylidene-4-piperazin-1-ylbutanamide (CID 67537547) is 2-methylidene-4-piperazin-1-ylbutanamide.
What is the SMILES notation for 2-methylidene-4-piperazin-1-ylbutanamide?
The canonical SMILES for 2-methylidene-4-piperazin-1-ylbutanamide is C=C(CCN1CCNCC1)C(N)=O.
What is the InChIKey of 2-methylidene-4-piperazin-1-ylbutanamide?
The InChIKey is CSIONSGBLDIWPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O/c1-8(9(10)13)2-5-12-6-3-11-4-7-12/h11H,1-7H2,(H2,10,13).
What are the key properties of 2-methylidene-4-piperazin-1-ylbutanamide?
2-methylidene-4-piperazin-1-ylbutanamide has a molecular weight of 183.25 g/mol, XLogP of -0.68, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylidene-4-piperazin-1-ylbutanamide is sourced from PubChem (CID 67537547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).