2-[1-(4-hydroxy-4-methylcyclohexyl)-3-(methylamino)propan-2-yl]piperidine-1-carboxamide

C17H33N3O2 — CID 69466597

IUPAC2-[1-(4-hydroxy-4-methylcyclohexyl)-3-(methylamino)propan-2-yl]piperidine-1-carboxamide
SMILESCNCC(CC1CCC(C)(O)CC1)C1CCCCN1C(N)=O
InChIInChI=1S/C17H33N3O2/c1-17(22)8-6-13(7-9-17)11-14(12-19-2)15-5-3-4-10-20(15)16(18)21/h13-15,19,22H,3-12H2,1-2H3,(H2,18,21)
InChIKeyPZBVDBQGSOABFO-UHFFFAOYSA-N
MW311.47 g/mol
LogP2.09
Rot. Bonds5

About 2-[1-(4-hydroxy-4-methylcyclohexyl)-3-(methylamino)propan-2-yl]piperidine-1-carboxamide

2-[1-(4-hydroxy-4-methylcyclohexyl)-3-(methylamino)propan-2-yl]piperidine-1-carboxamide (PubChem CID 69466597) has the molecular formula C17H33N3O2 and a molecular weight of 311.47 g/mol. Its IUPAC name is 2-[1-(4-hydroxy-4-methylcyclohexyl)-3-(methylamino)propan-2-yl]piperidine-1-carboxamide.

Molecular Properties

Compound Name2-[1-(4-hydroxy-4-methylcyclohexyl)-3-(methylamino)propan-2-yl]piperidine-1-carboxamide
PubChem CID69466597
Molecular FormulaC17H33N3O2
Molecular Weight311.47 g/mol
Exact Mass311.26
IUPAC Name2-[1-(4-hydroxy-4-methylcyclohexyl)-3-(methylamino)propan-2-yl]piperidine-1-carboxamide
SMILESCNCC(CC1CCC(C)(O)CC1)C1CCCCN1C(N)=O
InChIInChI=1S/C17H33N3O2/c1-17(22)8-6-13(7-9-17)11-14(12-19-2)15-5-3-4-10-20(15)16(18)21/h13-15,19,22H,3-12H2,1-2H3,(H2,18,21)
InChIKeyPZBVDBQGSOABFO-UHFFFAOYSA-N
XLogP2.09
TPSA78.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.47
LogP ≤ 52.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-hydroxy-4-methylcyclohexyl)-3-(methylamino)propan-2-yl]piperidine-1-carboxamide?
The IUPAC name of 2-[1-(4-hydroxy-4-methylcyclohexyl)-3-(methylamino)propan-2-yl]piperidine-1-carboxamide (CID 69466597) is 2-[1-(4-hydroxy-4-methylcyclohexyl)-3-(methylamino)propan-2-yl]piperidine-1-carboxamide.
What is the SMILES notation for 2-[1-(4-hydroxy-4-methylcyclohexyl)-3-(methylamino)propan-2-yl]piperidine-1-carboxamide?
The canonical SMILES for 2-[1-(4-hydroxy-4-methylcyclohexyl)-3-(methylamino)propan-2-yl]piperidine-1-carboxamide is CNCC(CC1CCC(C)(O)CC1)C1CCCCN1C(N)=O.
What is the InChIKey of 2-[1-(4-hydroxy-4-methylcyclohexyl)-3-(methylamino)propan-2-yl]piperidine-1-carboxamide?
The InChIKey is PZBVDBQGSOABFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33N3O2/c1-17(22)8-6-13(7-9-17)11-14(12-19-2)15-5-3-4-10-20(15)16(18)21/h13-15,19,22H,3-12H2,1-2H3,(H2,18,21).
What are the key properties of 2-[1-(4-hydroxy-4-methylcyclohexyl)-3-(methylamino)propan-2-yl]piperidine-1-carboxamide?
2-[1-(4-hydroxy-4-methylcyclohexyl)-3-(methylamino)propan-2-yl]piperidine-1-carboxamide has a molecular weight of 311.47 g/mol, XLogP of 2.09, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-hydroxy-4-methylcyclohexyl)-3-(methylamino)propan-2-yl]piperidine-1-carboxamide is sourced from PubChem (CID 69466597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).