4-amino-N-[2-methyl-2-(4-methylpiperazin-1-yl)propyl]oxolane-3-carboxamide

C14H28N4O2 — CID 66236468

IUPAC4-amino-N-[2-methyl-2-(4-methylpiperazin-1-yl)propyl]oxolane-3-carboxamide
SMILESCN1CCN(C(C)(C)CNC(=O)C2COCC2N)CC1
InChIInChI=1S/C14H28N4O2/c1-14(2,18-6-4-17(3)5-7-18)10-16-13(19)11-8-20-9-12(11)15/h11-12H,4-10,15H2,1-3H3,(H,16,19)
InChIKeyMQNIRLQDPQDCHE-UHFFFAOYSA-N
MW284.40 g/mol
LogP-0.90
Rot. Bonds4

About 4-amino-N-[2-methyl-2-(4-methylpiperazin-1-yl)propyl]oxolane-3-carboxamide

4-amino-N-[2-methyl-2-(4-methylpiperazin-1-yl)propyl]oxolane-3-carboxamide (PubChem CID 66236468) has the molecular formula C14H28N4O2 and a molecular weight of 284.40 g/mol. Its IUPAC name is 4-amino-N-[2-methyl-2-(4-methylpiperazin-1-yl)propyl]oxolane-3-carboxamide.

Molecular Properties

Compound Name4-amino-N-[2-methyl-2-(4-methylpiperazin-1-yl)propyl]oxolane-3-carboxamide
PubChem CID66236468
Molecular FormulaC14H28N4O2
Molecular Weight284.40 g/mol
Exact Mass284.22
IUPAC Name4-amino-N-[2-methyl-2-(4-methylpiperazin-1-yl)propyl]oxolane-3-carboxamide
SMILESCN1CCN(C(C)(C)CNC(=O)C2COCC2N)CC1
InChIInChI=1S/C14H28N4O2/c1-14(2,18-6-4-17(3)5-7-18)10-16-13(19)11-8-20-9-12(11)15/h11-12H,4-10,15H2,1-3H3,(H,16,19)
InChIKeyMQNIRLQDPQDCHE-UHFFFAOYSA-N
XLogP-0.90
TPSA70.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 5-0.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[2-methyl-2-(4-methylpiperazin-1-yl)propyl]oxolane-3-carboxamide?
The IUPAC name of 4-amino-N-[2-methyl-2-(4-methylpiperazin-1-yl)propyl]oxolane-3-carboxamide (CID 66236468) is 4-amino-N-[2-methyl-2-(4-methylpiperazin-1-yl)propyl]oxolane-3-carboxamide.
What is the SMILES notation for 4-amino-N-[2-methyl-2-(4-methylpiperazin-1-yl)propyl]oxolane-3-carboxamide?
The canonical SMILES for 4-amino-N-[2-methyl-2-(4-methylpiperazin-1-yl)propyl]oxolane-3-carboxamide is CN1CCN(C(C)(C)CNC(=O)C2COCC2N)CC1.
What is the InChIKey of 4-amino-N-[2-methyl-2-(4-methylpiperazin-1-yl)propyl]oxolane-3-carboxamide?
The InChIKey is MQNIRLQDPQDCHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N4O2/c1-14(2,18-6-4-17(3)5-7-18)10-16-13(19)11-8-20-9-12(11)15/h11-12H,4-10,15H2,1-3H3,(H,16,19).
What are the key properties of 4-amino-N-[2-methyl-2-(4-methylpiperazin-1-yl)propyl]oxolane-3-carboxamide?
4-amino-N-[2-methyl-2-(4-methylpiperazin-1-yl)propyl]oxolane-3-carboxamide has a molecular weight of 284.40 g/mol, XLogP of -0.90, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[2-methyl-2-(4-methylpiperazin-1-yl)propyl]oxolane-3-carboxamide is sourced from PubChem (CID 66236468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).