4-[bis(prop-2-enyl)amino]-2-piperazin-1-ylbutanamide

C14H26N4O — CID 69092579

IUPAC4-[bis(prop-2-enyl)amino]-2-piperazin-1-ylbutanamide
SMILESC=CCN(CC=C)CCC(C(N)=O)N1CCNCC1
InChIInChI=1S/C14H26N4O/c1-3-8-17(9-4-2)10-5-13(14(15)19)18-11-6-16-7-12-18/h3-4,13,16H,1-2,5-12H2,(H2,15,19)
InChIKeySONFCHBXOCRKKH-UHFFFAOYSA-N
MW266.39 g/mol
LogP-0.19
Rot. Bonds9

About 4-[bis(prop-2-enyl)amino]-2-piperazin-1-ylbutanamide

4-[bis(prop-2-enyl)amino]-2-piperazin-1-ylbutanamide (PubChem CID 69092579) has the molecular formula C14H26N4O and a molecular weight of 266.39 g/mol. Its IUPAC name is 4-[bis(prop-2-enyl)amino]-2-piperazin-1-ylbutanamide.

Molecular Properties

Compound Name4-[bis(prop-2-enyl)amino]-2-piperazin-1-ylbutanamide
PubChem CID69092579
Molecular FormulaC14H26N4O
Molecular Weight266.39 g/mol
Exact Mass266.21
IUPAC Name4-[bis(prop-2-enyl)amino]-2-piperazin-1-ylbutanamide
SMILESC=CCN(CC=C)CCC(C(N)=O)N1CCNCC1
InChIInChI=1S/C14H26N4O/c1-3-8-17(9-4-2)10-5-13(14(15)19)18-11-6-16-7-12-18/h3-4,13,16H,1-2,5-12H2,(H2,15,19)
InChIKeySONFCHBXOCRKKH-UHFFFAOYSA-N
XLogP-0.19
TPSA61.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.39
LogP ≤ 5-0.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-amino-3-[4,7-bis(1-amino-3-carboxy-1-oxopropan-2-yl)-1,4,7,10-tetrazacyclododec-1-yl]-4-oxobutanoic acid
CID 90006182
2-(1,4,7,10-tetrazacyclododec-1-yl)hex-5-enoic acid
CID 174209258
2,2-di(piperazin-1-yl)acetamide
CID 57104434
tert-butyl N-(3-amino-3-oxo-2-piperazin-1-ylpropyl)carbamate
CID 102730712
N'-tert-butyl-2-piperazin-1-ylbutanediamide
CID 66430221
2-(1,4-diazepan-1-yl)-4,4-dimethoxybutanamide
CID 66268249
N,N-bis(prop-2-enyl)piperazine-1-carboxamide
CID 70546144
2-piperazin-1-ylpropanamide;dihydrochloride
CID 54593431
2-[7-(1-carboxy-3-hydroxypropyl)-1,4,7,10-tetrazacyclododec-1-yl]-4-hydroxybutanoic acid;gadolinium
CID 175945589
3-[bis(prop-2-enyl)amino]propanoic acid;piperidine-1-carboxamide
CID 68545523
2-[(3R)-3-methylpiperazin-1-yl]butanamide
CID 104975725
2-[4-(1-carboxy-2-hydroxyethyl)-1,4,7,10-tetrazacyclododec-1-yl]-3-hydroxypropanoic acid
CID 57254174

Frequently Asked Questions

What is the IUPAC name of 4-[bis(prop-2-enyl)amino]-2-piperazin-1-ylbutanamide?
The IUPAC name of 4-[bis(prop-2-enyl)amino]-2-piperazin-1-ylbutanamide (CID 69092579) is 4-[bis(prop-2-enyl)amino]-2-piperazin-1-ylbutanamide.
What is the SMILES notation for 4-[bis(prop-2-enyl)amino]-2-piperazin-1-ylbutanamide?
The canonical SMILES for 4-[bis(prop-2-enyl)amino]-2-piperazin-1-ylbutanamide is C=CCN(CC=C)CCC(C(N)=O)N1CCNCC1.
What is the InChIKey of 4-[bis(prop-2-enyl)amino]-2-piperazin-1-ylbutanamide?
The InChIKey is SONFCHBXOCRKKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4O/c1-3-8-17(9-4-2)10-5-13(14(15)19)18-11-6-16-7-12-18/h3-4,13,16H,1-2,5-12H2,(H2,15,19).
What are the key properties of 4-[bis(prop-2-enyl)amino]-2-piperazin-1-ylbutanamide?
4-[bis(prop-2-enyl)amino]-2-piperazin-1-ylbutanamide has a molecular weight of 266.39 g/mol, XLogP of -0.19, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[bis(prop-2-enyl)amino]-2-piperazin-1-ylbutanamide is sourced from PubChem (CID 69092579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).