N-[(1R,2R)-2-hydroxycyclohexyl]-2-methyl-2-piperidin-3-ylpropanamide

C15H28N2O2 — CID 107222031

IUPACN-[(1R,2R)-2-hydroxycyclohexyl]-2-methyl-2-piperidin-3-ylpropanamide
SMILESCC(C)(C(=O)N[C@@H]1CCCC[C@H]1O)C1CCCNC1
InChIInChI=1S/C15H28N2O2/c1-15(2,11-6-5-9-16-10-11)14(19)17-12-7-3-4-8-13(12)18/h11-13,16,18H,3-10H2,1-2H3,(H,17,19)/t11?,12-,13-/m1/s1
InChIKeyQQCCWEWGWBWEMT-VFRRUGBOSA-N
MW268.40 g/mol
LogP1.43
Rot. Bonds3

About N-[(1R,2R)-2-hydroxycyclohexyl]-2-methyl-2-piperidin-3-ylpropanamide

N-[(1R,2R)-2-hydroxycyclohexyl]-2-methyl-2-piperidin-3-ylpropanamide (PubChem CID 107222031) has the molecular formula C15H28N2O2 and a molecular weight of 268.40 g/mol. Its IUPAC name is N-[(1R,2R)-2-hydroxycyclohexyl]-2-methyl-2-piperidin-3-ylpropanamide.

Molecular Properties

Compound NameN-[(1R,2R)-2-hydroxycyclohexyl]-2-methyl-2-piperidin-3-ylpropanamide
PubChem CID107222031
Molecular FormulaC15H28N2O2
Molecular Weight268.40 g/mol
Exact Mass268.22
IUPAC NameN-[(1R,2R)-2-hydroxycyclohexyl]-2-methyl-2-piperidin-3-ylpropanamide
SMILESCC(C)(C(=O)N[C@@H]1CCCC[C@H]1O)C1CCCNC1
InChIInChI=1S/C15H28N2O2/c1-15(2,11-6-5-9-16-10-11)14(19)17-12-7-3-4-8-13(12)18/h11-13,16,18H,3-10H2,1-2H3,(H,17,19)/t11?,12-,13-/m1/s1
InChIKeyQQCCWEWGWBWEMT-VFRRUGBOSA-N
XLogP1.43
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 51.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(1R,2R)-2-hydroxycyclohexyl]-2-methyl-2-piperidin-3-ylpropanamide?
The IUPAC name of N-[(1R,2R)-2-hydroxycyclohexyl]-2-methyl-2-piperidin-3-ylpropanamide (CID 107222031) is N-[(1R,2R)-2-hydroxycyclohexyl]-2-methyl-2-piperidin-3-ylpropanamide.
What is the SMILES notation for N-[(1R,2R)-2-hydroxycyclohexyl]-2-methyl-2-piperidin-3-ylpropanamide?
The canonical SMILES for N-[(1R,2R)-2-hydroxycyclohexyl]-2-methyl-2-piperidin-3-ylpropanamide is CC(C)(C(=O)N[C@@H]1CCCC[C@H]1O)C1CCCNC1.
What is the InChIKey of N-[(1R,2R)-2-hydroxycyclohexyl]-2-methyl-2-piperidin-3-ylpropanamide?
The InChIKey is QQCCWEWGWBWEMT-VFRRUGBOSA-N. The full InChI is InChI=1S/C15H28N2O2/c1-15(2,11-6-5-9-16-10-11)14(19)17-12-7-3-4-8-13(12)18/h11-13,16,18H,3-10H2,1-2H3,(H,17,19)/t11?,12-,13-/m1/s1.
What are the key properties of N-[(1R,2R)-2-hydroxycyclohexyl]-2-methyl-2-piperidin-3-ylpropanamide?
N-[(1R,2R)-2-hydroxycyclohexyl]-2-methyl-2-piperidin-3-ylpropanamide has a molecular weight of 268.40 g/mol, XLogP of 1.43, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2R)-2-hydroxycyclohexyl]-2-methyl-2-piperidin-3-ylpropanamide is sourced from PubChem (CID 107222031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).