N-butan-2-yl-N-butyl-2-methyl-2-piperazin-1-ylpropanamide

C16H33N3O — CID 80548717

IUPACN-butan-2-yl-N-butyl-2-methyl-2-piperazin-1-ylpropanamide
SMILESCCCCN(C(=O)C(C)(C)N1CCNCC1)C(C)CC
InChIInChI=1S/C16H33N3O/c1-6-8-11-19(14(3)7-2)15(20)16(4,5)18-12-9-17-10-13-18/h14,17H,6-13H2,1-5H3
InChIKeyVRFDYOUIWZSYEK-UHFFFAOYSA-N
MW283.46 g/mol
LogP2.10
Rot. Bonds7

About N-butan-2-yl-N-butyl-2-methyl-2-piperazin-1-ylpropanamide

N-butan-2-yl-N-butyl-2-methyl-2-piperazin-1-ylpropanamide (PubChem CID 80548717) has the molecular formula C16H33N3O and a molecular weight of 283.46 g/mol. Its IUPAC name is N-butan-2-yl-N-butyl-2-methyl-2-piperazin-1-ylpropanamide.

Molecular Properties

Compound NameN-butan-2-yl-N-butyl-2-methyl-2-piperazin-1-ylpropanamide
PubChem CID80548717
Molecular FormulaC16H33N3O
Molecular Weight283.46 g/mol
Exact Mass283.26
IUPAC NameN-butan-2-yl-N-butyl-2-methyl-2-piperazin-1-ylpropanamide
SMILESCCCCN(C(=O)C(C)(C)N1CCNCC1)C(C)CC
InChIInChI=1S/C16H33N3O/c1-6-8-11-19(14(3)7-2)15(20)16(4,5)18-12-9-17-10-13-18/h14,17H,6-13H2,1-5H3
InChIKeyVRFDYOUIWZSYEK-UHFFFAOYSA-N
XLogP2.10
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.46
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-N-butyl-2-methyl-2-piperazin-1-ylpropanamide?
The IUPAC name of N-butan-2-yl-N-butyl-2-methyl-2-piperazin-1-ylpropanamide (CID 80548717) is N-butan-2-yl-N-butyl-2-methyl-2-piperazin-1-ylpropanamide.
What is the SMILES notation for N-butan-2-yl-N-butyl-2-methyl-2-piperazin-1-ylpropanamide?
The canonical SMILES for N-butan-2-yl-N-butyl-2-methyl-2-piperazin-1-ylpropanamide is CCCCN(C(=O)C(C)(C)N1CCNCC1)C(C)CC.
What is the InChIKey of N-butan-2-yl-N-butyl-2-methyl-2-piperazin-1-ylpropanamide?
The InChIKey is VRFDYOUIWZSYEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33N3O/c1-6-8-11-19(14(3)7-2)15(20)16(4,5)18-12-9-17-10-13-18/h14,17H,6-13H2,1-5H3.
What are the key properties of N-butan-2-yl-N-butyl-2-methyl-2-piperazin-1-ylpropanamide?
N-butan-2-yl-N-butyl-2-methyl-2-piperazin-1-ylpropanamide has a molecular weight of 283.46 g/mol, XLogP of 2.10, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-N-butyl-2-methyl-2-piperazin-1-ylpropanamide is sourced from PubChem (CID 80548717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).