N-butanoyl-N-cyclopropyl-2-methylpiperazine-1-carboxamide

C13H23N3O2 — CID 90178348

IUPACN-butanoyl-N-cyclopropyl-2-methylpiperazine-1-carboxamide
SMILESCCCC(=O)N(C(=O)N1CCNCC1C)C1CC1
InChIInChI=1S/C13H23N3O2/c1-3-4-12(17)16(11-5-6-11)13(18)15-8-7-14-9-10(15)2/h10-11,14H,3-9H2,1-2H3
InChIKeyLYTZQHDYAXZFHS-UHFFFAOYSA-N
MW253.35 g/mol
LogP1.19
Rot. Bonds3

About N-butanoyl-N-cyclopropyl-2-methylpiperazine-1-carboxamide

N-butanoyl-N-cyclopropyl-2-methylpiperazine-1-carboxamide (PubChem CID 90178348) has the molecular formula C13H23N3O2 and a molecular weight of 253.35 g/mol. Its IUPAC name is N-butanoyl-N-cyclopropyl-2-methylpiperazine-1-carboxamide.

Molecular Properties

Compound NameN-butanoyl-N-cyclopropyl-2-methylpiperazine-1-carboxamide
PubChem CID90178348
Molecular FormulaC13H23N3O2
Molecular Weight253.35 g/mol
Exact Mass253.18
IUPAC NameN-butanoyl-N-cyclopropyl-2-methylpiperazine-1-carboxamide
SMILESCCCC(=O)N(C(=O)N1CCNCC1C)C1CC1
InChIInChI=1S/C13H23N3O2/c1-3-4-12(17)16(11-5-6-11)13(18)15-8-7-14-9-10(15)2/h10-11,14H,3-9H2,1-2H3
InChIKeyLYTZQHDYAXZFHS-UHFFFAOYSA-N
XLogP1.19
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-butanoyl-N-cyclopropyl-2-methylpiperazine-1-carboxamide?
The IUPAC name of N-butanoyl-N-cyclopropyl-2-methylpiperazine-1-carboxamide (CID 90178348) is N-butanoyl-N-cyclopropyl-2-methylpiperazine-1-carboxamide.
What is the SMILES notation for N-butanoyl-N-cyclopropyl-2-methylpiperazine-1-carboxamide?
The canonical SMILES for N-butanoyl-N-cyclopropyl-2-methylpiperazine-1-carboxamide is CCCC(=O)N(C(=O)N1CCNCC1C)C1CC1.
What is the InChIKey of N-butanoyl-N-cyclopropyl-2-methylpiperazine-1-carboxamide?
The InChIKey is LYTZQHDYAXZFHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O2/c1-3-4-12(17)16(11-5-6-11)13(18)15-8-7-14-9-10(15)2/h10-11,14H,3-9H2,1-2H3.
What are the key properties of N-butanoyl-N-cyclopropyl-2-methylpiperazine-1-carboxamide?
N-butanoyl-N-cyclopropyl-2-methylpiperazine-1-carboxamide has a molecular weight of 253.35 g/mol, XLogP of 1.19, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butanoyl-N-cyclopropyl-2-methylpiperazine-1-carboxamide is sourced from PubChem (CID 90178348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).