N-cyclopropyl-4-(3-methoxypropyl)-3,5-dimethylpiperazine-1-carboxamide

C14H27N3O2 — CID 110616565

IUPACN-cyclopropyl-4-(3-methoxypropyl)-3,5-dimethylpiperazine-1-carboxamide
SMILESCOCCCN1C(C)CN(C(=O)NC2CC2)CC1C
InChIInChI=1S/C14H27N3O2/c1-11-9-16(14(18)15-13-5-6-13)10-12(2)17(11)7-4-8-19-3/h11-13H,4-10H2,1-3H3,(H,15,18)
InChIKeyJSVOMMYSAALMMZ-UHFFFAOYSA-N
MW269.39 g/mol
LogP1.29
Rot. Bonds5

About N-cyclopropyl-4-(3-methoxypropyl)-3,5-dimethylpiperazine-1-carboxamide

N-cyclopropyl-4-(3-methoxypropyl)-3,5-dimethylpiperazine-1-carboxamide (PubChem CID 110616565) has the molecular formula C14H27N3O2 and a molecular weight of 269.39 g/mol. Its IUPAC name is N-cyclopropyl-4-(3-methoxypropyl)-3,5-dimethylpiperazine-1-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-4-(3-methoxypropyl)-3,5-dimethylpiperazine-1-carboxamide
PubChem CID110616565
Molecular FormulaC14H27N3O2
Molecular Weight269.39 g/mol
Exact Mass269.21
IUPAC NameN-cyclopropyl-4-(3-methoxypropyl)-3,5-dimethylpiperazine-1-carboxamide
SMILESCOCCCN1C(C)CN(C(=O)NC2CC2)CC1C
InChIInChI=1S/C14H27N3O2/c1-11-9-16(14(18)15-13-5-6-13)10-12(2)17(11)7-4-8-19-3/h11-13H,4-10H2,1-3H3,(H,15,18)
InChIKeyJSVOMMYSAALMMZ-UHFFFAOYSA-N
XLogP1.29
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-(3-methoxypropyl)-3,5-dimethylpiperazine-1-carboxamide?
The IUPAC name of N-cyclopropyl-4-(3-methoxypropyl)-3,5-dimethylpiperazine-1-carboxamide (CID 110616565) is N-cyclopropyl-4-(3-methoxypropyl)-3,5-dimethylpiperazine-1-carboxamide.
What is the SMILES notation for N-cyclopropyl-4-(3-methoxypropyl)-3,5-dimethylpiperazine-1-carboxamide?
The canonical SMILES for N-cyclopropyl-4-(3-methoxypropyl)-3,5-dimethylpiperazine-1-carboxamide is COCCCN1C(C)CN(C(=O)NC2CC2)CC1C.
What is the InChIKey of N-cyclopropyl-4-(3-methoxypropyl)-3,5-dimethylpiperazine-1-carboxamide?
The InChIKey is JSVOMMYSAALMMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O2/c1-11-9-16(14(18)15-13-5-6-13)10-12(2)17(11)7-4-8-19-3/h11-13H,4-10H2,1-3H3,(H,15,18).
What are the key properties of N-cyclopropyl-4-(3-methoxypropyl)-3,5-dimethylpiperazine-1-carboxamide?
N-cyclopropyl-4-(3-methoxypropyl)-3,5-dimethylpiperazine-1-carboxamide has a molecular weight of 269.39 g/mol, XLogP of 1.29, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-(3-methoxypropyl)-3,5-dimethylpiperazine-1-carboxamide is sourced from PubChem (CID 110616565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).