N-[(1S,2R)-2-methylcyclohexyl]-N-piperidin-4-ylacetamide

C14H26N2O — CID 70309136

IUPACN-[(1S,2R)-2-methylcyclohexyl]-N-piperidin-4-ylacetamide
SMILESCC(=O)N(C1CCNCC1)[C@H]1CCCC[C@H]1C
InChIInChI=1S/C14H26N2O/c1-11-5-3-4-6-14(11)16(12(2)17)13-7-9-15-10-8-13/h11,13-15H,3-10H2,1-2H3/t11-,14+/m1/s1
InChIKeyOMVUJIXALFGSEN-RISCZKNCSA-N
MW238.37 g/mol
LogP2.17
Rot. Bonds2

About N-[(1S,2R)-2-methylcyclohexyl]-N-piperidin-4-ylacetamide

N-[(1S,2R)-2-methylcyclohexyl]-N-piperidin-4-ylacetamide (PubChem CID 70309136) has the molecular formula C14H26N2O and a molecular weight of 238.37 g/mol. Its IUPAC name is N-[(1S,2R)-2-methylcyclohexyl]-N-piperidin-4-ylacetamide.

Molecular Properties

Compound NameN-[(1S,2R)-2-methylcyclohexyl]-N-piperidin-4-ylacetamide
PubChem CID70309136
Molecular FormulaC14H26N2O
Molecular Weight238.37 g/mol
Exact Mass238.20
IUPAC NameN-[(1S,2R)-2-methylcyclohexyl]-N-piperidin-4-ylacetamide
SMILESCC(=O)N(C1CCNCC1)[C@H]1CCCC[C@H]1C
InChIInChI=1S/C14H26N2O/c1-11-5-3-4-6-14(11)16(12(2)17)13-7-9-15-10-8-13/h11,13-15H,3-10H2,1-2H3/t11-,14+/m1/s1
InChIKeyOMVUJIXALFGSEN-RISCZKNCSA-N
XLogP2.17
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(1S,2R)-2-methylcyclohexyl]-N-piperidin-4-ylacetamide?
The IUPAC name of N-[(1S,2R)-2-methylcyclohexyl]-N-piperidin-4-ylacetamide (CID 70309136) is N-[(1S,2R)-2-methylcyclohexyl]-N-piperidin-4-ylacetamide.
What is the SMILES notation for N-[(1S,2R)-2-methylcyclohexyl]-N-piperidin-4-ylacetamide?
The canonical SMILES for N-[(1S,2R)-2-methylcyclohexyl]-N-piperidin-4-ylacetamide is CC(=O)N(C1CCNCC1)[C@H]1CCCC[C@H]1C.
What is the InChIKey of N-[(1S,2R)-2-methylcyclohexyl]-N-piperidin-4-ylacetamide?
The InChIKey is OMVUJIXALFGSEN-RISCZKNCSA-N. The full InChI is InChI=1S/C14H26N2O/c1-11-5-3-4-6-14(11)16(12(2)17)13-7-9-15-10-8-13/h11,13-15H,3-10H2,1-2H3/t11-,14+/m1/s1.
What are the key properties of N-[(1S,2R)-2-methylcyclohexyl]-N-piperidin-4-ylacetamide?
N-[(1S,2R)-2-methylcyclohexyl]-N-piperidin-4-ylacetamide has a molecular weight of 238.37 g/mol, XLogP of 2.17, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,2R)-2-methylcyclohexyl]-N-piperidin-4-ylacetamide is sourced from PubChem (CID 70309136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).