N-cyclopropyl-2-[4-[N-(2,2-dicyclopropylethyl)-N'-methylcarbamimidoyl]piperazin-1-yl]acetamide

C19H33N5O — CID 75423363

IUPACN-cyclopropyl-2-[4-[N-(2,2-dicyclopropylethyl)-N'-methylcarbamimidoyl]piperazin-1-yl]acetamide
SMILESC/N=C(\NCC(C1CC1)C1CC1)N1CCN(CC(=O)NC2CC2)CC1
InChIInChI=1S/C19H33N5O/c1-20-19(21-12-17(14-2-3-14)15-4-5-15)24-10-8-23(9-11-24)13-18(25)22-16-6-7-16/h14-17H,2-13H2,1H3,(H,20,21)(H,22,25)
InChIKeyBEQAHLWPGAKUJF-UHFFFAOYSA-N
MW347.51 g/mol
LogP0.89
Rot. Bonds7

About N-cyclopropyl-2-[4-[N-(2,2-dicyclopropylethyl)-N'-methylcarbamimidoyl]piperazin-1-yl]acetamide

N-cyclopropyl-2-[4-[N-(2,2-dicyclopropylethyl)-N'-methylcarbamimidoyl]piperazin-1-yl]acetamide (PubChem CID 75423363) has the molecular formula C19H33N5O and a molecular weight of 347.51 g/mol. Its IUPAC name is N-cyclopropyl-2-[4-[N-(2,2-dicyclopropylethyl)-N'-methylcarbamimidoyl]piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-cyclopropyl-2-[4-[N-(2,2-dicyclopropylethyl)-N'-methylcarbamimidoyl]piperazin-1-yl]acetamide
PubChem CID75423363
Molecular FormulaC19H33N5O
Molecular Weight347.51 g/mol
Exact Mass347.27
IUPAC NameN-cyclopropyl-2-[4-[N-(2,2-dicyclopropylethyl)-N'-methylcarbamimidoyl]piperazin-1-yl]acetamide
SMILESC/N=C(\NCC(C1CC1)C1CC1)N1CCN(CC(=O)NC2CC2)CC1
InChIInChI=1S/C19H33N5O/c1-20-19(21-12-17(14-2-3-14)15-4-5-15)24-10-8-23(9-11-24)13-18(25)22-16-6-7-16/h14-17H,2-13H2,1H3,(H,20,21)(H,22,25)
InChIKeyBEQAHLWPGAKUJF-UHFFFAOYSA-N
XLogP0.89
TPSA59.97 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.51
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-[4-[N-(2,2-dicyclopropylethyl)-N'-methylcarbamimidoyl]piperazin-1-yl]acetamide?
The IUPAC name of N-cyclopropyl-2-[4-[N-(2,2-dicyclopropylethyl)-N'-methylcarbamimidoyl]piperazin-1-yl]acetamide (CID 75423363) is N-cyclopropyl-2-[4-[N-(2,2-dicyclopropylethyl)-N'-methylcarbamimidoyl]piperazin-1-yl]acetamide.
What is the SMILES notation for N-cyclopropyl-2-[4-[N-(2,2-dicyclopropylethyl)-N'-methylcarbamimidoyl]piperazin-1-yl]acetamide?
The canonical SMILES for N-cyclopropyl-2-[4-[N-(2,2-dicyclopropylethyl)-N'-methylcarbamimidoyl]piperazin-1-yl]acetamide is C/N=C(\NCC(C1CC1)C1CC1)N1CCN(CC(=O)NC2CC2)CC1.
What is the InChIKey of N-cyclopropyl-2-[4-[N-(2,2-dicyclopropylethyl)-N'-methylcarbamimidoyl]piperazin-1-yl]acetamide?
The InChIKey is BEQAHLWPGAKUJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33N5O/c1-20-19(21-12-17(14-2-3-14)15-4-5-15)24-10-8-23(9-11-24)13-18(25)22-16-6-7-16/h14-17H,2-13H2,1H3,(H,20,21)(H,22,25).
What are the key properties of N-cyclopropyl-2-[4-[N-(2,2-dicyclopropylethyl)-N'-methylcarbamimidoyl]piperazin-1-yl]acetamide?
N-cyclopropyl-2-[4-[N-(2,2-dicyclopropylethyl)-N'-methylcarbamimidoyl]piperazin-1-yl]acetamide has a molecular weight of 347.51 g/mol, XLogP of 0.89, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-[4-[N-(2,2-dicyclopropylethyl)-N'-methylcarbamimidoyl]piperazin-1-yl]acetamide is sourced from PubChem (CID 75423363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).