N-(4-hydroxy-2,2-dimethylpentyl)-3-methylpiperidine-1-carboxamide

C14H28N2O2 — CID 111507279

IUPACN-(4-hydroxy-2,2-dimethylpentyl)-3-methylpiperidine-1-carboxamide
SMILESCC(O)CC(C)(C)CNC(=O)N1CCCC(C)C1
InChIInChI=1S/C14H28N2O2/c1-11-6-5-7-16(9-11)13(18)15-10-14(3,4)8-12(2)17/h11-12,17H,5-10H2,1-4H3,(H,15,18)
InChIKeyGBXIYJCVMXIPTC-UHFFFAOYSA-N
MW256.39 g/mol
LogP2.22
Rot. Bonds4

About N-(4-hydroxy-2,2-dimethylpentyl)-3-methylpiperidine-1-carboxamide

N-(4-hydroxy-2,2-dimethylpentyl)-3-methylpiperidine-1-carboxamide (PubChem CID 111507279) has the molecular formula C14H28N2O2 and a molecular weight of 256.39 g/mol. Its IUPAC name is N-(4-hydroxy-2,2-dimethylpentyl)-3-methylpiperidine-1-carboxamide.

Molecular Properties

Compound NameN-(4-hydroxy-2,2-dimethylpentyl)-3-methylpiperidine-1-carboxamide
PubChem CID111507279
Molecular FormulaC14H28N2O2
Molecular Weight256.39 g/mol
Exact Mass256.22
IUPAC NameN-(4-hydroxy-2,2-dimethylpentyl)-3-methylpiperidine-1-carboxamide
SMILESCC(O)CC(C)(C)CNC(=O)N1CCCC(C)C1
InChIInChI=1S/C14H28N2O2/c1-11-6-5-7-16(9-11)13(18)15-10-14(3,4)8-12(2)17/h11-12,17H,5-10H2,1-4H3,(H,15,18)
InChIKeyGBXIYJCVMXIPTC-UHFFFAOYSA-N
XLogP2.22
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-hydroxy-2,2-dimethylpentyl)-4-methylpiperidine-1-carboxamide
CID 111507377
N-(4-hydroxy-2,2-dimethylpentyl)-3-(methoxymethyl)piperidine-1-carboxamide
CID 111507311
(2R,6R)-N-[(4S)-4-hydroxy-2,2-dimethylpentyl]-2,6-dimethylazepane-1-carboxamide
CID 124865148
N-(2,2-dimethylheptyl)-3-methylpiperidine-1-carboxamide
CID 116656850
N-(2,3-dihydroxy-2-methylpropyl)-3-methylpiperidine-1-carboxamide
CID 79160357
4-(cyclopropylmethyl)-N-(4-hydroxy-2,2-dimethylpentyl)piperazine-1-carboxamide
CID 111507440
N-(4-hydroxy-2,2-dimethylpentyl)thiomorpholine-4-carboxamide
CID 111507324
N-(4-hydroxy-2,2-dimethylpentyl)-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine-1-carboxamide
CID 111507564
N-ethyl-3-methylpiperidine-1-carboxamide
CID 89048200
4-(2,2-difluoroethyl)-N-(4-hydroxy-2,2-dimethylpentyl)piperazine-1-carboxamide
CID 111507298
3-hydroxy-N-[2-methyl-2-(3-methylpiperidin-1-yl)propyl]piperidine-1-carboxamide
CID 110903346
N-(4-hydroxy-2,2-dimethylpentyl)-4-imidazol-1-ylpiperidine-1-carboxamide
CID 111507302

Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxy-2,2-dimethylpentyl)-3-methylpiperidine-1-carboxamide?
The IUPAC name of N-(4-hydroxy-2,2-dimethylpentyl)-3-methylpiperidine-1-carboxamide (CID 111507279) is N-(4-hydroxy-2,2-dimethylpentyl)-3-methylpiperidine-1-carboxamide.
What is the SMILES notation for N-(4-hydroxy-2,2-dimethylpentyl)-3-methylpiperidine-1-carboxamide?
The canonical SMILES for N-(4-hydroxy-2,2-dimethylpentyl)-3-methylpiperidine-1-carboxamide is CC(O)CC(C)(C)CNC(=O)N1CCCC(C)C1.
What is the InChIKey of N-(4-hydroxy-2,2-dimethylpentyl)-3-methylpiperidine-1-carboxamide?
The InChIKey is GBXIYJCVMXIPTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O2/c1-11-6-5-7-16(9-11)13(18)15-10-14(3,4)8-12(2)17/h11-12,17H,5-10H2,1-4H3,(H,15,18).
What are the key properties of N-(4-hydroxy-2,2-dimethylpentyl)-3-methylpiperidine-1-carboxamide?
N-(4-hydroxy-2,2-dimethylpentyl)-3-methylpiperidine-1-carboxamide has a molecular weight of 256.39 g/mol, XLogP of 2.22, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxy-2,2-dimethylpentyl)-3-methylpiperidine-1-carboxamide is sourced from PubChem (CID 111507279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).