N-(4-hydroxy-2,2-dimethylpentyl)-1-propanoylpiperidine-2-carboxamide

C16H30N2O3 — CID 111480417

IUPACN-(4-hydroxy-2,2-dimethylpentyl)-1-propanoylpiperidine-2-carboxamide
SMILESCCC(=O)N1CCCCC1C(=O)NCC(C)(C)CC(C)O
InChIInChI=1S/C16H30N2O3/c1-5-14(20)18-9-7-6-8-13(18)15(21)17-11-16(3,4)10-12(2)19/h12-13,19H,5-11H2,1-4H3,(H,17,21)
InChIKeyCQHYEFJARFTRLB-UHFFFAOYSA-N
MW298.43 g/mol
LogP1.69
Rot. Bonds6

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

N-(4-hydroxy-2,2-dimethylpentyl)-1-propanoylpiperidine-2-carboxamide (PubChem CID 111480417) has the molecular formula C16H30N2O3 and a molecular weight of 298.43 g/mol. Its IUPAC name is N-(4-hydroxy-2,2-dimethylpentyl)-1-propanoylpiperidine-2-carboxamide.

Molecular Properties

Compound NameN-(4-hydroxy-2,2-dimethylpentyl)-1-propanoylpiperidine-2-carboxamide
PubChem CID111480417
Molecular FormulaC16H30N2O3
Molecular Weight298.43 g/mol
Exact Mass298.23
IUPAC NameN-(4-hydroxy-2,2-dimethylpentyl)-1-propanoylpiperidine-2-carboxamide
SMILESCCC(=O)N1CCCCC1C(=O)NCC(C)(C)CC(C)O
InChIInChI=1S/C16H30N2O3/c1-5-14(20)18-9-7-6-8-13(18)15(21)17-11-16(3,4)10-12(2)19/h12-13,19H,5-11H2,1-4H3,(H,17,21)
InChIKeyCQHYEFJARFTRLB-UHFFFAOYSA-N
XLogP1.69
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.43
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-hydroxy-4-methylpentyl)-1-propanoylpiperidine-2-carboxamide
CID 111461149
N-(2-cyclopentyl-2-hydroxyethyl)-1-propanoylpiperidine-2-carboxamide
CID 111426381
1-[2-(1-hydroxyethyl)piperidin-1-yl]propan-1-one
CID 130621072
N-(4-hydroxy-2,2-dimethylpentyl)-2-(2-methylpropyl)pyrrolidine-1-carboxamide
CID 111507392
N-(4-hydroxy-2,2-dimethylpentyl)-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine-1-carboxamide
CID 111507564
N-[2-(furan-2-yl)-2-hydroxyethyl]-1-propanoylpiperidine-2-carboxamide
CID 110906621
1-(3,3-dimethylbutanoyl)-N-(3-hydroxy-2,2,4-trimethylpentyl)pyrrolidine-2-carboxamide
CID 109380565
4-ethyl-N-(4-hydroxy-2,2-dimethylpentyl)morpholine-2-carboxamide
CID 71856712
4-[2-[(1-propanoylpiperidine-2-carbonyl)amino]ethyl]benzoic acid
CID 119168696
1-propanoylpiperidine-2-carboxamide
CID 60717244
1-(cyclopropanecarbonyl)-N-[2-ethyl-2-(hydroxymethyl)butyl]pyrrolidine-2-carboxamide
CID 106252537
1-[2-(2-hydroxypropyl)piperidin-1-yl]propan-1-one
CID 79548971

Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxy-2,2-dimethylpentyl)-1-propanoylpiperidine-2-carboxamide?
The IUPAC name of N-(4-hydroxy-2,2-dimethylpentyl)-1-propanoylpiperidine-2-carboxamide (CID 111480417) is N-(4-hydroxy-2,2-dimethylpentyl)-1-propanoylpiperidine-2-carboxamide.
What is the SMILES notation for N-(4-hydroxy-2,2-dimethylpentyl)-1-propanoylpiperidine-2-carboxamide?
The canonical SMILES for N-(4-hydroxy-2,2-dimethylpentyl)-1-propanoylpiperidine-2-carboxamide is CCC(=O)N1CCCCC1C(=O)NCC(C)(C)CC(C)O.
What is the InChIKey of N-(4-hydroxy-2,2-dimethylpentyl)-1-propanoylpiperidine-2-carboxamide?
The InChIKey is CQHYEFJARFTRLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O3/c1-5-14(20)18-9-7-6-8-13(18)15(21)17-11-16(3,4)10-12(2)19/h12-13,19H,5-11H2,1-4H3,(H,17,21).
What are the key properties of N-(4-hydroxy-2,2-dimethylpentyl)-1-propanoylpiperidine-2-carboxamide?
N-(4-hydroxy-2,2-dimethylpentyl)-1-propanoylpiperidine-2-carboxamide has a molecular weight of 298.43 g/mol, XLogP of 1.69, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxy-2,2-dimethylpentyl)-1-propanoylpiperidine-2-carboxamide is sourced from PubChem (CID 111480417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).