N-(oxan-4-ylmethyl)-3-piperazin-1-ylbutanamide

C14H27N3O2 — CID 115189158

IUPACN-(oxan-4-ylmethyl)-3-piperazin-1-ylbutanamide
SMILESCC(CC(=O)NCC1CCOCC1)N1CCNCC1
InChIInChI=1S/C14H27N3O2/c1-12(17-6-4-15-5-7-17)10-14(18)16-11-13-2-8-19-9-3-13/h12-13,15H,2-11H2,1H3,(H,16,18)
InChIKeyRTSGJZFCQILYPR-UHFFFAOYSA-N
MW269.39 g/mol
LogP0.21
Rot. Bonds5

About N-(oxan-4-ylmethyl)-3-piperazin-1-ylbutanamide

N-(oxan-4-ylmethyl)-3-piperazin-1-ylbutanamide (PubChem CID 115189158) has the molecular formula C14H27N3O2 and a molecular weight of 269.39 g/mol. Its IUPAC name is N-(oxan-4-ylmethyl)-3-piperazin-1-ylbutanamide.

Molecular Properties

Compound NameN-(oxan-4-ylmethyl)-3-piperazin-1-ylbutanamide
PubChem CID115189158
Molecular FormulaC14H27N3O2
Molecular Weight269.39 g/mol
Exact Mass269.21
IUPAC NameN-(oxan-4-ylmethyl)-3-piperazin-1-ylbutanamide
SMILESCC(CC(=O)NCC1CCOCC1)N1CCNCC1
InChIInChI=1S/C14H27N3O2/c1-12(17-6-4-15-5-7-17)10-14(18)16-11-13-2-8-19-9-3-13/h12-13,15H,2-11H2,1H3,(H,16,18)
InChIKeyRTSGJZFCQILYPR-UHFFFAOYSA-N
XLogP0.21
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 50.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(oxan-4-ylmethyl)-3-piperazin-1-ylbutanamide?
The IUPAC name of N-(oxan-4-ylmethyl)-3-piperazin-1-ylbutanamide (CID 115189158) is N-(oxan-4-ylmethyl)-3-piperazin-1-ylbutanamide.
What is the SMILES notation for N-(oxan-4-ylmethyl)-3-piperazin-1-ylbutanamide?
The canonical SMILES for N-(oxan-4-ylmethyl)-3-piperazin-1-ylbutanamide is CC(CC(=O)NCC1CCOCC1)N1CCNCC1.
What is the InChIKey of N-(oxan-4-ylmethyl)-3-piperazin-1-ylbutanamide?
The InChIKey is RTSGJZFCQILYPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O2/c1-12(17-6-4-15-5-7-17)10-14(18)16-11-13-2-8-19-9-3-13/h12-13,15H,2-11H2,1H3,(H,16,18).
What are the key properties of N-(oxan-4-ylmethyl)-3-piperazin-1-ylbutanamide?
N-(oxan-4-ylmethyl)-3-piperazin-1-ylbutanamide has a molecular weight of 269.39 g/mol, XLogP of 0.21, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxan-4-ylmethyl)-3-piperazin-1-ylbutanamide is sourced from PubChem (CID 115189158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).