N-[(1-hydroxy-3-methylcyclohexyl)methyl]-2-methyl-2-piperazin-1-ylpropanamide

C16H31N3O2 — CID 80547935

IUPACN-[(1-hydroxy-3-methylcyclohexyl)methyl]-2-methyl-2-piperazin-1-ylpropanamide
SMILESCC1CCCC(O)(CNC(=O)C(C)(C)N2CCNCC2)C1
InChIInChI=1S/C16H31N3O2/c1-13-5-4-6-16(21,11-13)12-18-14(20)15(2,3)19-9-7-17-8-10-19/h13,17,21H,4-12H2,1-3H3,(H,18,20)
InChIKeySOEUABFGWVJJGF-UHFFFAOYSA-N
MW297.44 g/mol
LogP0.73
Rot. Bonds4

About N-[(1-hydroxy-3-methylcyclohexyl)methyl]-2-methyl-2-piperazin-1-ylpropanamide

N-[(1-hydroxy-3-methylcyclohexyl)methyl]-2-methyl-2-piperazin-1-ylpropanamide (PubChem CID 80547935) has the molecular formula C16H31N3O2 and a molecular weight of 297.44 g/mol. Its IUPAC name is N-[(1-hydroxy-3-methylcyclohexyl)methyl]-2-methyl-2-piperazin-1-ylpropanamide.

Molecular Properties

Compound NameN-[(1-hydroxy-3-methylcyclohexyl)methyl]-2-methyl-2-piperazin-1-ylpropanamide
PubChem CID80547935
Molecular FormulaC16H31N3O2
Molecular Weight297.44 g/mol
Exact Mass297.24
IUPAC NameN-[(1-hydroxy-3-methylcyclohexyl)methyl]-2-methyl-2-piperazin-1-ylpropanamide
SMILESCC1CCCC(O)(CNC(=O)C(C)(C)N2CCNCC2)C1
InChIInChI=1S/C16H31N3O2/c1-13-5-4-6-16(21,11-13)12-18-14(20)15(2,3)19-9-7-17-8-10-19/h13,17,21H,4-12H2,1-3H3,(H,18,20)
InChIKeySOEUABFGWVJJGF-UHFFFAOYSA-N
XLogP0.73
TPSA64.60 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.44
LogP ≤ 50.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(1-hydroxy-3-methylcyclohexyl)methyl]-2-methyl-2-piperazin-1-ylpropanamide?
The IUPAC name of N-[(1-hydroxy-3-methylcyclohexyl)methyl]-2-methyl-2-piperazin-1-ylpropanamide (CID 80547935) is N-[(1-hydroxy-3-methylcyclohexyl)methyl]-2-methyl-2-piperazin-1-ylpropanamide.
What is the SMILES notation for N-[(1-hydroxy-3-methylcyclohexyl)methyl]-2-methyl-2-piperazin-1-ylpropanamide?
The canonical SMILES for N-[(1-hydroxy-3-methylcyclohexyl)methyl]-2-methyl-2-piperazin-1-ylpropanamide is CC1CCCC(O)(CNC(=O)C(C)(C)N2CCNCC2)C1.
What is the InChIKey of N-[(1-hydroxy-3-methylcyclohexyl)methyl]-2-methyl-2-piperazin-1-ylpropanamide?
The InChIKey is SOEUABFGWVJJGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3O2/c1-13-5-4-6-16(21,11-13)12-18-14(20)15(2,3)19-9-7-17-8-10-19/h13,17,21H,4-12H2,1-3H3,(H,18,20).
What are the key properties of N-[(1-hydroxy-3-methylcyclohexyl)methyl]-2-methyl-2-piperazin-1-ylpropanamide?
N-[(1-hydroxy-3-methylcyclohexyl)methyl]-2-methyl-2-piperazin-1-ylpropanamide has a molecular weight of 297.44 g/mol, XLogP of 0.73, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-hydroxy-3-methylcyclohexyl)methyl]-2-methyl-2-piperazin-1-ylpropanamide is sourced from PubChem (CID 80547935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).