1-[(2R)-2-cyclohexyl-2-hydroxyacetyl]-N-[(2R)-3-methylbutan-2-yl]piperidine-4-carboxamide

C19H34N2O3 — CID 99824148

IUPAC1-[(2R)-2-cyclohexyl-2-hydroxyacetyl]-N-[(2R)-3-methylbutan-2-yl]piperidine-4-carboxamide
SMILESCC(C)[C@@H](C)NC(=O)C1CCN(C(=O)[C@H](O)C2CCCCC2)CC1
InChIInChI=1S/C19H34N2O3/c1-13(2)14(3)20-18(23)16-9-11-21(12-10-16)19(24)17(22)15-7-5-4-6-8-15/h13-17,22H,4-12H2,1-3H3,(H,20,23)/t14-,17-/m1/s1
InChIKeyDPXHURFFLTVJLS-RHSMWYFYSA-N
MW338.49 g/mol
LogP2.33
Rot. Bonds5

About 1-[(2R)-2-cyclohexyl-2-hydroxyacetyl]-N-[(2R)-3-methylbutan-2-yl]piperidine-4-carboxamide

1-[(2R)-2-cyclohexyl-2-hydroxyacetyl]-N-[(2R)-3-methylbutan-2-yl]piperidine-4-carboxamide (PubChem CID 99824148) has the molecular formula C19H34N2O3 and a molecular weight of 338.49 g/mol. Its IUPAC name is 1-[(2R)-2-cyclohexyl-2-hydroxyacetyl]-N-[(2R)-3-methylbutan-2-yl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[(2R)-2-cyclohexyl-2-hydroxyacetyl]-N-[(2R)-3-methylbutan-2-yl]piperidine-4-carboxamide
PubChem CID99824148
Molecular FormulaC19H34N2O3
Molecular Weight338.49 g/mol
Exact Mass338.26
IUPAC Name1-[(2R)-2-cyclohexyl-2-hydroxyacetyl]-N-[(2R)-3-methylbutan-2-yl]piperidine-4-carboxamide
SMILESCC(C)[C@@H](C)NC(=O)C1CCN(C(=O)[C@H](O)C2CCCCC2)CC1
InChIInChI=1S/C19H34N2O3/c1-13(2)14(3)20-18(23)16-9-11-21(12-10-16)19(24)17(22)15-7-5-4-6-8-15/h13-17,22H,4-12H2,1-3H3,(H,20,23)/t14-,17-/m1/s1
InChIKeyDPXHURFFLTVJLS-RHSMWYFYSA-N
XLogP2.33
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.49
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-2-cyclohexyl-2-hydroxyacetyl]-N-[(2R)-3-methylbutan-2-yl]piperidine-4-carboxamide?
The IUPAC name of 1-[(2R)-2-cyclohexyl-2-hydroxyacetyl]-N-[(2R)-3-methylbutan-2-yl]piperidine-4-carboxamide (CID 99824148) is 1-[(2R)-2-cyclohexyl-2-hydroxyacetyl]-N-[(2R)-3-methylbutan-2-yl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[(2R)-2-cyclohexyl-2-hydroxyacetyl]-N-[(2R)-3-methylbutan-2-yl]piperidine-4-carboxamide?
The canonical SMILES for 1-[(2R)-2-cyclohexyl-2-hydroxyacetyl]-N-[(2R)-3-methylbutan-2-yl]piperidine-4-carboxamide is CC(C)[C@@H](C)NC(=O)C1CCN(C(=O)[C@H](O)C2CCCCC2)CC1.
What is the InChIKey of 1-[(2R)-2-cyclohexyl-2-hydroxyacetyl]-N-[(2R)-3-methylbutan-2-yl]piperidine-4-carboxamide?
The InChIKey is DPXHURFFLTVJLS-RHSMWYFYSA-N. The full InChI is InChI=1S/C19H34N2O3/c1-13(2)14(3)20-18(23)16-9-11-21(12-10-16)19(24)17(22)15-7-5-4-6-8-15/h13-17,22H,4-12H2,1-3H3,(H,20,23)/t14-,17-/m1/s1.
What are the key properties of 1-[(2R)-2-cyclohexyl-2-hydroxyacetyl]-N-[(2R)-3-methylbutan-2-yl]piperidine-4-carboxamide?
1-[(2R)-2-cyclohexyl-2-hydroxyacetyl]-N-[(2R)-3-methylbutan-2-yl]piperidine-4-carboxamide has a molecular weight of 338.49 g/mol, XLogP of 2.33, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-2-cyclohexyl-2-hydroxyacetyl]-N-[(2R)-3-methylbutan-2-yl]piperidine-4-carboxamide is sourced from PubChem (CID 99824148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).