N-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-3,5-dimethylcyclohexane-1-carboxamide

C18H34N2O2 — CID 110020943

IUPACN-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-3,5-dimethylcyclohexane-1-carboxamide
SMILESCC1CCN(CC(O)CNC(=O)C2CC(C)CC(C)C2)CC1
InChIInChI=1S/C18H34N2O2/c1-13-4-6-20(7-5-13)12-17(21)11-19-18(22)16-9-14(2)8-15(3)10-16/h13-17,21H,4-12H2,1-3H3,(H,19,22)
InChIKeyDAXRQJBQPWDYEQ-UHFFFAOYSA-N
MW310.48 g/mol
LogP2.27
Rot. Bonds5

About N-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-3,5-dimethylcyclohexane-1-carboxamide

N-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-3,5-dimethylcyclohexane-1-carboxamide (PubChem CID 110020943) has the molecular formula C18H34N2O2 and a molecular weight of 310.48 g/mol. Its IUPAC name is N-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-3,5-dimethylcyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-3,5-dimethylcyclohexane-1-carboxamide
PubChem CID110020943
Molecular FormulaC18H34N2O2
Molecular Weight310.48 g/mol
Exact Mass310.26
IUPAC NameN-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-3,5-dimethylcyclohexane-1-carboxamide
SMILESCC1CCN(CC(O)CNC(=O)C2CC(C)CC(C)C2)CC1
InChIInChI=1S/C18H34N2O2/c1-13-4-6-20(7-5-13)12-17(21)11-19-18(22)16-9-14(2)8-15(3)10-16/h13-17,21H,4-12H2,1-3H3,(H,19,22)
InChIKeyDAXRQJBQPWDYEQ-UHFFFAOYSA-N
XLogP2.27
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.48
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]propanamide
CID 111112773
1-butyl-3-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]urea
CID 56785064
1-cycloheptyl-3-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]urea
CID 111111362
1-butyl-3-[(2R)-2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]urea
CID 95617929
N-(2-hydroxy-3-pyrrolidin-1-ylpropyl)-1-propanoylpiperidine-4-carboxamide
CID 131910920
N-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-4-methylbenzamide
CID 111112795
1-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-3-(3-methylpentan-2-yl)urea
CID 111111407
4-acetyl-N-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]benzamide
CID 111422376
N-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-1,2-oxazole-3-carboxamide
CID 111422396
N-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]ethanesulfonamide
CID 111439988
1-[(3-methylcyclopentyl)amino]-3-(4-methylpiperidin-1-yl)propan-2-ol
CID 111466677
1-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-3-[2-(1-methylpiperidin-4-yl)ethyl]urea
CID 111111417

Frequently Asked Questions

What is the IUPAC name of N-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-3,5-dimethylcyclohexane-1-carboxamide?
The IUPAC name of N-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-3,5-dimethylcyclohexane-1-carboxamide (CID 110020943) is N-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-3,5-dimethylcyclohexane-1-carboxamide.
What is the SMILES notation for N-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-3,5-dimethylcyclohexane-1-carboxamide?
The canonical SMILES for N-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-3,5-dimethylcyclohexane-1-carboxamide is CC1CCN(CC(O)CNC(=O)C2CC(C)CC(C)C2)CC1.
What is the InChIKey of N-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-3,5-dimethylcyclohexane-1-carboxamide?
The InChIKey is DAXRQJBQPWDYEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34N2O2/c1-13-4-6-20(7-5-13)12-17(21)11-19-18(22)16-9-14(2)8-15(3)10-16/h13-17,21H,4-12H2,1-3H3,(H,19,22).
What are the key properties of N-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-3,5-dimethylcyclohexane-1-carboxamide?
N-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-3,5-dimethylcyclohexane-1-carboxamide has a molecular weight of 310.48 g/mol, XLogP of 2.27, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-3,5-dimethylcyclohexane-1-carboxamide is sourced from PubChem (CID 110020943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).