4-(azidomethyl)-1-[4-(4-methylpiperazin-1-yl)butyl]pyrrolidin-2-one

C14H26N6O — CID 168656232

IUPAC4-(azidomethyl)-1-[4-(4-methylpiperazin-1-yl)butyl]pyrrolidin-2-one
SMILESCN1CCN(CCCCN2CC(CN=[N+]=[N-])CC2=O)CC1
InChIInChI=1S/C14H26N6O/c1-18-6-8-19(9-7-18)4-2-3-5-20-12-13(10-14(20)21)11-16-17-15/h13H,2-12H2,1H3
InChIKeyULFXWMFRJFSLKC-UHFFFAOYSA-N
MW294.40 g/mol
LogP1.17
Rot. Bonds7

About 4-(azidomethyl)-1-[4-(4-methylpiperazin-1-yl)butyl]pyrrolidin-2-one

4-(azidomethyl)-1-[4-(4-methylpiperazin-1-yl)butyl]pyrrolidin-2-one (PubChem CID 168656232) has the molecular formula C14H26N6O and a molecular weight of 294.40 g/mol. Its IUPAC name is 4-(azidomethyl)-1-[4-(4-methylpiperazin-1-yl)butyl]pyrrolidin-2-one.

Molecular Properties

Compound Name4-(azidomethyl)-1-[4-(4-methylpiperazin-1-yl)butyl]pyrrolidin-2-one
PubChem CID168656232
Molecular FormulaC14H26N6O
Molecular Weight294.40 g/mol
Exact Mass294.22
IUPAC Name4-(azidomethyl)-1-[4-(4-methylpiperazin-1-yl)butyl]pyrrolidin-2-one
SMILESCN1CCN(CCCCN2CC(CN=[N+]=[N-])CC2=O)CC1
InChIInChI=1S/C14H26N6O/c1-18-6-8-19(9-7-18)4-2-3-5-20-12-13(10-14(20)21)11-16-17-15/h13H,2-12H2,1H3
InChIKeyULFXWMFRJFSLKC-UHFFFAOYSA-N
XLogP1.17
TPSA75.55 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 51.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

4-(azidomethyl)-1-(3-methoxypropyl)pyrrolidin-2-one
CID 168656366
4-(azidomethyl)-1-[2-(1-ethylpiperidin-4-yl)ethyl]pyrrolidin-2-one
CID 168656073
4-ethenyl-1-[4-(4-methylpiperazin-1-yl)butyl]pyrrolidin-2-one
CID 168684281
1-(3-aminopentyl)-4-(azidomethyl)pyrrolidin-2-one
CID 168655557
4-(azidomethyl)-1-(cyclopropylmethyl)pyrrolidin-2-one
CID 168657130
4-(azidomethyl)-1-[2-[methyl(propan-2-yl)amino]ethyl]pyrrolidin-2-one
CID 168655926
4-(azidomethyl)-1-[2-(4-ethylphenyl)ethyl]pyrrolidin-2-one
CID 168656177
4-(azidomethyl)-1-(3-imidazol-1-ylpropyl)pyrrolidin-2-one
CID 168657179
tert-butyl N-[2-[4-(azidomethyl)-2-oxopyrrolidin-1-yl]ethyl]carbamate
CID 168655854
tert-butyl 4-[2-[4-(azidomethyl)-2-oxopyrrolidin-1-yl]ethyl]piperidine-1-carboxylate
CID 168655844
4-(azidomethyl)-1-[2-(4-methylphenyl)sulfanylethyl]pyrrolidin-2-one
CID 168656717
1-(4-pyrrolidin-1-ylbutyl)-4-(sulfanylmethyl)pyrrolidin-2-one
CID 168670896

Frequently Asked Questions

What is the IUPAC name of 4-(azidomethyl)-1-[4-(4-methylpiperazin-1-yl)butyl]pyrrolidin-2-one?
The IUPAC name of 4-(azidomethyl)-1-[4-(4-methylpiperazin-1-yl)butyl]pyrrolidin-2-one (CID 168656232) is 4-(azidomethyl)-1-[4-(4-methylpiperazin-1-yl)butyl]pyrrolidin-2-one.
What is the SMILES notation for 4-(azidomethyl)-1-[4-(4-methylpiperazin-1-yl)butyl]pyrrolidin-2-one?
The canonical SMILES for 4-(azidomethyl)-1-[4-(4-methylpiperazin-1-yl)butyl]pyrrolidin-2-one is CN1CCN(CCCCN2CC(CN=[N+]=[N-])CC2=O)CC1.
What is the InChIKey of 4-(azidomethyl)-1-[4-(4-methylpiperazin-1-yl)butyl]pyrrolidin-2-one?
The InChIKey is ULFXWMFRJFSLKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N6O/c1-18-6-8-19(9-7-18)4-2-3-5-20-12-13(10-14(20)21)11-16-17-15/h13H,2-12H2,1H3.
What are the key properties of 4-(azidomethyl)-1-[4-(4-methylpiperazin-1-yl)butyl]pyrrolidin-2-one?
4-(azidomethyl)-1-[4-(4-methylpiperazin-1-yl)butyl]pyrrolidin-2-one has a molecular weight of 294.40 g/mol, XLogP of 1.17, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(azidomethyl)-1-[4-(4-methylpiperazin-1-yl)butyl]pyrrolidin-2-one is sourced from PubChem (CID 168656232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).