3-methyl-N-[[1-[(4-methylpiperazin-1-yl)methyl]cyclopropyl]methyl]but-2-enamide

C15H27N3O — CID 56746773

IUPAC3-methyl-N-[[1-[(4-methylpiperazin-1-yl)methyl]cyclopropyl]methyl]but-2-enamide
SMILESCC(C)=CC(=O)NCC1(CN2CCN(C)CC2)CC1
InChIInChI=1S/C15H27N3O/c1-13(2)10-14(19)16-11-15(4-5-15)12-18-8-6-17(3)7-9-18/h10H,4-9,11-12H2,1-3H3,(H,16,19)
InChIKeyCIHNASXHCMMOHK-UHFFFAOYSA-N
MW265.40 g/mol
LogP1.10
Rot. Bonds5

About 3-methyl-N-[[1-[(4-methylpiperazin-1-yl)methyl]cyclopropyl]methyl]but-2-enamide

3-methyl-N-[[1-[(4-methylpiperazin-1-yl)methyl]cyclopropyl]methyl]but-2-enamide (PubChem CID 56746773) has the molecular formula C15H27N3O and a molecular weight of 265.40 g/mol. Its IUPAC name is 3-methyl-N-[[1-[(4-methylpiperazin-1-yl)methyl]cyclopropyl]methyl]but-2-enamide.

Molecular Properties

Compound Name3-methyl-N-[[1-[(4-methylpiperazin-1-yl)methyl]cyclopropyl]methyl]but-2-enamide
PubChem CID56746773
Molecular FormulaC15H27N3O
Molecular Weight265.40 g/mol
Exact Mass265.22
IUPAC Name3-methyl-N-[[1-[(4-methylpiperazin-1-yl)methyl]cyclopropyl]methyl]but-2-enamide
SMILESCC(C)=CC(=O)NCC1(CN2CCN(C)CC2)CC1
InChIInChI=1S/C15H27N3O/c1-13(2)10-14(19)16-11-15(4-5-15)12-18-8-6-17(3)7-9-18/h10H,4-9,11-12H2,1-3H3,(H,16,19)
InChIKeyCIHNASXHCMMOHK-UHFFFAOYSA-N
XLogP1.10
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[[1-[(4-methylpiperazin-1-yl)methyl]cyclopropyl]methyl]but-2-enamide?
The IUPAC name of 3-methyl-N-[[1-[(4-methylpiperazin-1-yl)methyl]cyclopropyl]methyl]but-2-enamide (CID 56746773) is 3-methyl-N-[[1-[(4-methylpiperazin-1-yl)methyl]cyclopropyl]methyl]but-2-enamide.
What is the SMILES notation for 3-methyl-N-[[1-[(4-methylpiperazin-1-yl)methyl]cyclopropyl]methyl]but-2-enamide?
The canonical SMILES for 3-methyl-N-[[1-[(4-methylpiperazin-1-yl)methyl]cyclopropyl]methyl]but-2-enamide is CC(C)=CC(=O)NCC1(CN2CCN(C)CC2)CC1.
What is the InChIKey of 3-methyl-N-[[1-[(4-methylpiperazin-1-yl)methyl]cyclopropyl]methyl]but-2-enamide?
The InChIKey is CIHNASXHCMMOHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O/c1-13(2)10-14(19)16-11-15(4-5-15)12-18-8-6-17(3)7-9-18/h10H,4-9,11-12H2,1-3H3,(H,16,19).
What are the key properties of 3-methyl-N-[[1-[(4-methylpiperazin-1-yl)methyl]cyclopropyl]methyl]but-2-enamide?
3-methyl-N-[[1-[(4-methylpiperazin-1-yl)methyl]cyclopropyl]methyl]but-2-enamide has a molecular weight of 265.40 g/mol, XLogP of 1.10, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[[1-[(4-methylpiperazin-1-yl)methyl]cyclopropyl]methyl]but-2-enamide is sourced from PubChem (CID 56746773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).