N-(4-methyloxan-4-yl)-2-piperazin-1-ylpropanamide

C13H25N3O2 — CID 113491190

IUPACN-(4-methyloxan-4-yl)-2-piperazin-1-ylpropanamide
SMILESCC(C(=O)NC1(C)CCOCC1)N1CCNCC1
InChIInChI=1S/C13H25N3O2/c1-11(16-7-5-14-6-8-16)12(17)15-13(2)3-9-18-10-4-13/h11,14H,3-10H2,1-2H3,(H,15,17)
InChIKeyDPKFSOMDYVTWJQ-UHFFFAOYSA-N
MW255.36 g/mol
LogP-0.03
Rot. Bonds3

About N-(4-methyloxan-4-yl)-2-piperazin-1-ylpropanamide

N-(4-methyloxan-4-yl)-2-piperazin-1-ylpropanamide (PubChem CID 113491190) has the molecular formula C13H25N3O2 and a molecular weight of 255.36 g/mol. Its IUPAC name is N-(4-methyloxan-4-yl)-2-piperazin-1-ylpropanamide.

Molecular Properties

Compound NameN-(4-methyloxan-4-yl)-2-piperazin-1-ylpropanamide
PubChem CID113491190
Molecular FormulaC13H25N3O2
Molecular Weight255.36 g/mol
Exact Mass255.19
IUPAC NameN-(4-methyloxan-4-yl)-2-piperazin-1-ylpropanamide
SMILESCC(C(=O)NC1(C)CCOCC1)N1CCNCC1
InChIInChI=1S/C13H25N3O2/c1-11(16-7-5-14-6-8-16)12(17)15-13(2)3-9-18-10-4-13/h11,14H,3-10H2,1-2H3,(H,15,17)
InChIKeyDPKFSOMDYVTWJQ-UHFFFAOYSA-N
XLogP-0.03
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 5-0.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-methyloxan-4-yl)-2-piperazin-1-ylpropanamide?
The IUPAC name of N-(4-methyloxan-4-yl)-2-piperazin-1-ylpropanamide (CID 113491190) is N-(4-methyloxan-4-yl)-2-piperazin-1-ylpropanamide.
What is the SMILES notation for N-(4-methyloxan-4-yl)-2-piperazin-1-ylpropanamide?
The canonical SMILES for N-(4-methyloxan-4-yl)-2-piperazin-1-ylpropanamide is CC(C(=O)NC1(C)CCOCC1)N1CCNCC1.
What is the InChIKey of N-(4-methyloxan-4-yl)-2-piperazin-1-ylpropanamide?
The InChIKey is DPKFSOMDYVTWJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O2/c1-11(16-7-5-14-6-8-16)12(17)15-13(2)3-9-18-10-4-13/h11,14H,3-10H2,1-2H3,(H,15,17).
What are the key properties of N-(4-methyloxan-4-yl)-2-piperazin-1-ylpropanamide?
N-(4-methyloxan-4-yl)-2-piperazin-1-ylpropanamide has a molecular weight of 255.36 g/mol, XLogP of -0.03, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methyloxan-4-yl)-2-piperazin-1-ylpropanamide is sourced from PubChem (CID 113491190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).