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

C15H30N4O2 — CID 66235852

IUPAC4-amino-N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]oxolane-3-carboxamide
SMILESCC(C)C(CNC(=O)C1COCC1N)N1CCN(C)CC1
InChIInChI=1S/C15H30N4O2/c1-11(2)14(19-6-4-18(3)5-7-19)8-17-15(20)12-9-21-10-13(12)16/h11-14H,4-10,16H2,1-3H3,(H,17,20)
InChIKeyRUKPQVQUUJEMMR-UHFFFAOYSA-N
MW298.43 g/mol
LogP-0.65
Rot. Bonds5

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

4-amino-N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]oxolane-3-carboxamide (PubChem CID 66235852) has the molecular formula C15H30N4O2 and a molecular weight of 298.43 g/mol. Its IUPAC name is 4-amino-N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]oxolane-3-carboxamide.

Molecular Properties

Compound Name4-amino-N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]oxolane-3-carboxamide
PubChem CID66235852
Molecular FormulaC15H30N4O2
Molecular Weight298.43 g/mol
Exact Mass298.24
IUPAC Name4-amino-N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]oxolane-3-carboxamide
SMILESCC(C)C(CNC(=O)C1COCC1N)N1CCN(C)CC1
InChIInChI=1S/C15H30N4O2/c1-11(2)14(19-6-4-18(3)5-7-19)8-17-15(20)12-9-21-10-13(12)16/h11-14H,4-10,16H2,1-3H3,(H,17,20)
InChIKeyRUKPQVQUUJEMMR-UHFFFAOYSA-N
XLogP-0.65
TPSA70.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.43
LogP ≤ 5-0.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]cyclopropanecarboxamide
CID 60763644
4-amino-N-[2-methyl-2-(4-methylpiperazin-1-yl)propyl]oxolane-3-carboxamide
CID 66236468
4-(ethylamino)-N-(3-methyl-2-pyrrolidin-1-ylbutyl)oxolane-3-carboxamide
CID 66257930
N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]-2-phenylcyclopropane-1-carboxamide
CID 86842455
3-[[3-methyl-2-(4-methylpiperazin-1-yl)butyl]amino]-3-oxopropanoic acid
CID 55049690
1-cyclopropyl-3-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]urea
CID 55559318
3-methyl-N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]pyrrolidine-2-carboxamide
CID 102779046
2-ethyl-N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]butanamide
CID 110403103
4-amino-N-[3-(2-methylpropylamino)-3-oxopropyl]oxolane-3-carboxamide
CID 113410096
2-amino-2-ethyl-N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]butanamide
CID 79815067
4-amino-N-[2-(azepan-1-yl)ethyl]oxolane-3-carboxamide
CID 66235652
1-(1-hydroxypropan-2-yl)-3-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]urea
CID 110895658

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]oxolane-3-carboxamide?
The IUPAC name of 4-amino-N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]oxolane-3-carboxamide (CID 66235852) is 4-amino-N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]oxolane-3-carboxamide.
What is the SMILES notation for 4-amino-N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]oxolane-3-carboxamide?
The canonical SMILES for 4-amino-N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]oxolane-3-carboxamide is CC(C)C(CNC(=O)C1COCC1N)N1CCN(C)CC1.
What is the InChIKey of 4-amino-N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]oxolane-3-carboxamide?
The InChIKey is RUKPQVQUUJEMMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N4O2/c1-11(2)14(19-6-4-18(3)5-7-19)8-17-15(20)12-9-21-10-13(12)16/h11-14H,4-10,16H2,1-3H3,(H,17,20).
What are the key properties of 4-amino-N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]oxolane-3-carboxamide?
4-amino-N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]oxolane-3-carboxamide has a molecular weight of 298.43 g/mol, XLogP of -0.65, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]oxolane-3-carboxamide is sourced from PubChem (CID 66235852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).