4-methyl-N-[(2S)-5-methyl-2-propylhexanoyl]piperazine-1-carboxamide

C16H31N3O2 — CID 91120249

IUPAC4-methyl-N-[(2S)-5-methyl-2-propylhexanoyl]piperazine-1-carboxamide
SMILESCCC[C@@H](CCC(C)C)C(=O)NC(=O)N1CCN(C)CC1
InChIInChI=1S/C16H31N3O2/c1-5-6-14(8-7-13(2)3)15(20)17-16(21)19-11-9-18(4)10-12-19/h13-14H,5-12H2,1-4H3,(H,17,20,21)/t14-/m0/s1
InChIKeyJIXLKBVNJSNXIS-AWEZNQCLSA-N
MW297.44 g/mol
LogP2.32
Rot. Bonds6

About 4-methyl-N-[(2S)-5-methyl-2-propylhexanoyl]piperazine-1-carboxamide

4-methyl-N-[(2S)-5-methyl-2-propylhexanoyl]piperazine-1-carboxamide (PubChem CID 91120249) has the molecular formula C16H31N3O2 and a molecular weight of 297.44 g/mol. Its IUPAC name is 4-methyl-N-[(2S)-5-methyl-2-propylhexanoyl]piperazine-1-carboxamide.

Molecular Properties

Compound Name4-methyl-N-[(2S)-5-methyl-2-propylhexanoyl]piperazine-1-carboxamide
PubChem CID91120249
Molecular FormulaC16H31N3O2
Molecular Weight297.44 g/mol
Exact Mass297.24
IUPAC Name4-methyl-N-[(2S)-5-methyl-2-propylhexanoyl]piperazine-1-carboxamide
SMILESCCC[C@@H](CCC(C)C)C(=O)NC(=O)N1CCN(C)CC1
InChIInChI=1S/C16H31N3O2/c1-5-6-14(8-7-13(2)3)15(20)17-16(21)19-11-9-18(4)10-12-19/h13-14H,5-12H2,1-4H3,(H,17,20,21)/t14-/m0/s1
InChIKeyJIXLKBVNJSNXIS-AWEZNQCLSA-N
XLogP2.32
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.44
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[(2S)-5-methyl-2-propylhexanoyl]piperazine-1-carboxamide?
The IUPAC name of 4-methyl-N-[(2S)-5-methyl-2-propylhexanoyl]piperazine-1-carboxamide (CID 91120249) is 4-methyl-N-[(2S)-5-methyl-2-propylhexanoyl]piperazine-1-carboxamide.
What is the SMILES notation for 4-methyl-N-[(2S)-5-methyl-2-propylhexanoyl]piperazine-1-carboxamide?
The canonical SMILES for 4-methyl-N-[(2S)-5-methyl-2-propylhexanoyl]piperazine-1-carboxamide is CCC[C@@H](CCC(C)C)C(=O)NC(=O)N1CCN(C)CC1.
What is the InChIKey of 4-methyl-N-[(2S)-5-methyl-2-propylhexanoyl]piperazine-1-carboxamide?
The InChIKey is JIXLKBVNJSNXIS-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H31N3O2/c1-5-6-14(8-7-13(2)3)15(20)17-16(21)19-11-9-18(4)10-12-19/h13-14H,5-12H2,1-4H3,(H,17,20,21)/t14-/m0/s1.
What are the key properties of 4-methyl-N-[(2S)-5-methyl-2-propylhexanoyl]piperazine-1-carboxamide?
4-methyl-N-[(2S)-5-methyl-2-propylhexanoyl]piperazine-1-carboxamide has a molecular weight of 297.44 g/mol, XLogP of 2.32, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[(2S)-5-methyl-2-propylhexanoyl]piperazine-1-carboxamide is sourced from PubChem (CID 91120249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).