4-(2-hydroxyethyl)-N-(1-methylpiperidin-3-yl)cyclohexane-1-carboxamide

C15H28N2O2 — CID 115150990

IUPAC4-(2-hydroxyethyl)-N-(1-methylpiperidin-3-yl)cyclohexane-1-carboxamide
SMILESCN1CCCC(NC(=O)C2CCC(CCO)CC2)C1
InChIInChI=1S/C15H28N2O2/c1-17-9-2-3-14(11-17)16-15(19)13-6-4-12(5-7-13)8-10-18/h12-14,18H,2-11H2,1H3,(H,16,19)
InChIKeyZWJAPQNKKCGNFW-UHFFFAOYSA-N
MW268.40 g/mol
LogP1.39
Rot. Bonds4

About 4-(2-hydroxyethyl)-N-(1-methylpiperidin-3-yl)cyclohexane-1-carboxamide

4-(2-hydroxyethyl)-N-(1-methylpiperidin-3-yl)cyclohexane-1-carboxamide (PubChem CID 115150990) has the molecular formula C15H28N2O2 and a molecular weight of 268.40 g/mol. Its IUPAC name is 4-(2-hydroxyethyl)-N-(1-methylpiperidin-3-yl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-(2-hydroxyethyl)-N-(1-methylpiperidin-3-yl)cyclohexane-1-carboxamide
PubChem CID115150990
Molecular FormulaC15H28N2O2
Molecular Weight268.40 g/mol
Exact Mass268.22
IUPAC Name4-(2-hydroxyethyl)-N-(1-methylpiperidin-3-yl)cyclohexane-1-carboxamide
SMILESCN1CCCC(NC(=O)C2CCC(CCO)CC2)C1
InChIInChI=1S/C15H28N2O2/c1-17-9-2-3-14(11-17)16-15(19)13-6-4-12(5-7-13)8-10-18/h12-14,18H,2-11H2,1H3,(H,16,19)
InChIKeyZWJAPQNKKCGNFW-UHFFFAOYSA-N
XLogP1.39
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-hydroxy-N-[(2S)-2-(2-oxopiperidin-1-yl)propyl]cyclohexane-1-carboxamide
CID 164631481
1-(2-Amino-3-cyclohexyl-1-hydroxypropyl)piperidin-2-one
CID 17846009
N-(1-butanoylpiperidin-4-yl)-2-cyclohexyl-2-hydroxyacetamide
CID 25109035
(3S)-2-amino-5-cyclohexyl-3-hydroxy-N-(2-methylpropyl)pentanamide
CID 54067897
(2S)-N-[(3S)-2-amino-1-cyclohexyl-3-hydroxybutyl]-2,6-dimethylheptanamide
CID 54472012
N-[(1S,2S)-1-cyclohexyl-1-hydroxy-3-morpholin-4-ylpropan-2-yl]decanamide
CID 57018527
(2S)-2-amino-2-cyclohexyl-N-(4-hydroxy-3-methylbutyl)-N-methylacetamide
CID 59917883
(2S)-2-cyclohexyl-N-(4-hydroxy-3-methylbutyl)-N-methyl-2-(methylamino)acetamide
CID 59917886
4-(hydroxymethyl)-N-isopropylcyclohexanecarboxamide
CID 66746794
4-(2-Hydroxycyclohexyl)-3-piperazin-1-ylbutanamide
CID 67073997
N-(4-aminocyclohexyl)-4-(hydroxymethyl)cyclohexane-1-carboxamide
CID 68048442
2-Ethyl-8-oxo-8-piperazin-1-yloctanoic acid
CID 69407243

Frequently Asked Questions

What is the IUPAC name of 4-(2-hydroxyethyl)-N-(1-methylpiperidin-3-yl)cyclohexane-1-carboxamide?
The IUPAC name of 4-(2-hydroxyethyl)-N-(1-methylpiperidin-3-yl)cyclohexane-1-carboxamide (CID 115150990) is 4-(2-hydroxyethyl)-N-(1-methylpiperidin-3-yl)cyclohexane-1-carboxamide.
What is the SMILES notation for 4-(2-hydroxyethyl)-N-(1-methylpiperidin-3-yl)cyclohexane-1-carboxamide?
The canonical SMILES for 4-(2-hydroxyethyl)-N-(1-methylpiperidin-3-yl)cyclohexane-1-carboxamide is CN1CCCC(NC(=O)C2CCC(CCO)CC2)C1.
What is the InChIKey of 4-(2-hydroxyethyl)-N-(1-methylpiperidin-3-yl)cyclohexane-1-carboxamide?
The InChIKey is ZWJAPQNKKCGNFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O2/c1-17-9-2-3-14(11-17)16-15(19)13-6-4-12(5-7-13)8-10-18/h12-14,18H,2-11H2,1H3,(H,16,19).
What are the key properties of 4-(2-hydroxyethyl)-N-(1-methylpiperidin-3-yl)cyclohexane-1-carboxamide?
4-(2-hydroxyethyl)-N-(1-methylpiperidin-3-yl)cyclohexane-1-carboxamide has a molecular weight of 268.40 g/mol, XLogP of 1.39, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-hydroxyethyl)-N-(1-methylpiperidin-3-yl)cyclohexane-1-carboxamide is sourced from PubChem (CID 115150990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).