2-cyclohexyloxy-N-[(2S)-2-(4-methylpiperazin-1-yl)propyl]acetamide

C16H31N3O2 — CID 95604307

IUPAC2-cyclohexyloxy-N-[(2S)-2-(4-methylpiperazin-1-yl)propyl]acetamide
SMILESC[C@@H](CNC(=O)COC1CCCCC1)N1CCN(C)CC1
InChIInChI=1S/C16H31N3O2/c1-14(19-10-8-18(2)9-11-19)12-17-16(20)13-21-15-6-4-3-5-7-15/h14-15H,3-13H2,1-2H3,(H,17,20)/t14-/m0/s1
InChIKeyXXJDVJIYXIUUJX-AWEZNQCLSA-N
MW297.44 g/mol
LogP1.09
Rot. Bonds6

About 2-cyclohexyloxy-N-[(2S)-2-(4-methylpiperazin-1-yl)propyl]acetamide

2-cyclohexyloxy-N-[(2S)-2-(4-methylpiperazin-1-yl)propyl]acetamide (PubChem CID 95604307) has the molecular formula C16H31N3O2 and a molecular weight of 297.44 g/mol. Its IUPAC name is 2-cyclohexyloxy-N-[(2S)-2-(4-methylpiperazin-1-yl)propyl]acetamide.

Molecular Properties

Compound Name2-cyclohexyloxy-N-[(2S)-2-(4-methylpiperazin-1-yl)propyl]acetamide
PubChem CID95604307
Molecular FormulaC16H31N3O2
Molecular Weight297.44 g/mol
Exact Mass297.24
IUPAC Name2-cyclohexyloxy-N-[(2S)-2-(4-methylpiperazin-1-yl)propyl]acetamide
SMILESC[C@@H](CNC(=O)COC1CCCCC1)N1CCN(C)CC1
InChIInChI=1S/C16H31N3O2/c1-14(19-10-8-18(2)9-11-19)12-17-16(20)13-21-15-6-4-3-5-7-15/h14-15H,3-13H2,1-2H3,(H,17,20)/t14-/m0/s1
InChIKeyXXJDVJIYXIUUJX-AWEZNQCLSA-N
XLogP1.09
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.44
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyloxy-N-[(2S)-2-(4-methylpiperazin-1-yl)propyl]acetamide?
The IUPAC name of 2-cyclohexyloxy-N-[(2S)-2-(4-methylpiperazin-1-yl)propyl]acetamide (CID 95604307) is 2-cyclohexyloxy-N-[(2S)-2-(4-methylpiperazin-1-yl)propyl]acetamide.
What is the SMILES notation for 2-cyclohexyloxy-N-[(2S)-2-(4-methylpiperazin-1-yl)propyl]acetamide?
The canonical SMILES for 2-cyclohexyloxy-N-[(2S)-2-(4-methylpiperazin-1-yl)propyl]acetamide is C[C@@H](CNC(=O)COC1CCCCC1)N1CCN(C)CC1.
What is the InChIKey of 2-cyclohexyloxy-N-[(2S)-2-(4-methylpiperazin-1-yl)propyl]acetamide?
The InChIKey is XXJDVJIYXIUUJX-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H31N3O2/c1-14(19-10-8-18(2)9-11-19)12-17-16(20)13-21-15-6-4-3-5-7-15/h14-15H,3-13H2,1-2H3,(H,17,20)/t14-/m0/s1.
What are the key properties of 2-cyclohexyloxy-N-[(2S)-2-(4-methylpiperazin-1-yl)propyl]acetamide?
2-cyclohexyloxy-N-[(2S)-2-(4-methylpiperazin-1-yl)propyl]acetamide has a molecular weight of 297.44 g/mol, XLogP of 1.09, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyloxy-N-[(2S)-2-(4-methylpiperazin-1-yl)propyl]acetamide is sourced from PubChem (CID 95604307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).