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

C15H30N2O3 — CID 111507311

IUPACN-(4-hydroxy-2,2-dimethylpentyl)-3-(methoxymethyl)piperidine-1-carboxamide
SMILESCOCC1CCCN(C(=O)NCC(C)(C)CC(C)O)C1
InChIInChI=1S/C15H30N2O3/c1-12(18)8-15(2,3)11-16-14(19)17-7-5-6-13(9-17)10-20-4/h12-13,18H,5-11H2,1-4H3,(H,16,19)
InChIKeyHECDWLFVDGJDIC-UHFFFAOYSA-N
MW286.42 g/mol
LogP1.85
Rot. Bonds6

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

N-(4-hydroxy-2,2-dimethylpentyl)-3-(methoxymethyl)piperidine-1-carboxamide (PubChem CID 111507311) has the molecular formula C15H30N2O3 and a molecular weight of 286.42 g/mol. Its IUPAC name is N-(4-hydroxy-2,2-dimethylpentyl)-3-(methoxymethyl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-(4-hydroxy-2,2-dimethylpentyl)-3-(methoxymethyl)piperidine-1-carboxamide
PubChem CID111507311
Molecular FormulaC15H30N2O3
Molecular Weight286.42 g/mol
Exact Mass286.23
IUPAC NameN-(4-hydroxy-2,2-dimethylpentyl)-3-(methoxymethyl)piperidine-1-carboxamide
SMILESCOCC1CCCN(C(=O)NCC(C)(C)CC(C)O)C1
InChIInChI=1S/C15H30N2O3/c1-12(18)8-15(2,3)11-16-14(19)17-7-5-6-13(9-17)10-20-4/h12-13,18H,5-11H2,1-4H3,(H,16,19)
InChIKeyHECDWLFVDGJDIC-UHFFFAOYSA-N
XLogP1.85
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-hydroxy-2,2-dimethylpentyl)-3-methylpiperidine-1-carboxamide
CID 111507279
N-(4-hydroxy-2,2-dimethylpentyl)-4-methylpiperidine-1-carboxamide
CID 111507377
3-(methoxymethyl)-N-methylpiperidine-1-carboxamide
CID 103663303
4-(cyclopropylmethyl)-N-(4-hydroxy-2,2-dimethylpentyl)piperazine-1-carboxamide
CID 111507440
N-[2-[3-(methoxymethyl)piperidin-1-yl]-2-oxoethyl]acetamide
CID 164604576
N-[(4-chlorophenyl)methyl]-3-(methoxymethyl)piperidine-1-carboxamide
CID 90505510
(E)-4-[[3-(methoxymethyl)piperidine-1-carbonyl]amino]but-2-enoic acid
CID 112746710
2-amino-2-cyclopropyl-1-[3-(methoxymethyl)piperidin-1-yl]propan-1-one
CID 103821153
2-(cyclopropylmethylamino)-1-[3-(methoxymethyl)piperidin-1-yl]ethanone;hydrochloride
CID 119781761
N-(4-tert-butylphenyl)-3-(methoxymethyl)piperidine-1-carboxamide
CID 90505505
(2S)-2-amino-1-[3-(methoxymethyl)piperidin-1-yl]-3,3-dimethylbutan-1-one
CID 103810680
2-iodo-1-[3-(methoxymethyl)piperidin-1-yl]ethanone
CID 143842263

Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxy-2,2-dimethylpentyl)-3-(methoxymethyl)piperidine-1-carboxamide?
The IUPAC name of N-(4-hydroxy-2,2-dimethylpentyl)-3-(methoxymethyl)piperidine-1-carboxamide (CID 111507311) is N-(4-hydroxy-2,2-dimethylpentyl)-3-(methoxymethyl)piperidine-1-carboxamide.
What is the SMILES notation for N-(4-hydroxy-2,2-dimethylpentyl)-3-(methoxymethyl)piperidine-1-carboxamide?
The canonical SMILES for N-(4-hydroxy-2,2-dimethylpentyl)-3-(methoxymethyl)piperidine-1-carboxamide is COCC1CCCN(C(=O)NCC(C)(C)CC(C)O)C1.
What is the InChIKey of N-(4-hydroxy-2,2-dimethylpentyl)-3-(methoxymethyl)piperidine-1-carboxamide?
The InChIKey is HECDWLFVDGJDIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O3/c1-12(18)8-15(2,3)11-16-14(19)17-7-5-6-13(9-17)10-20-4/h12-13,18H,5-11H2,1-4H3,(H,16,19).
What are the key properties of N-(4-hydroxy-2,2-dimethylpentyl)-3-(methoxymethyl)piperidine-1-carboxamide?
N-(4-hydroxy-2,2-dimethylpentyl)-3-(methoxymethyl)piperidine-1-carboxamide has a molecular weight of 286.42 g/mol, XLogP of 1.85, 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)-3-(methoxymethyl)piperidine-1-carboxamide is sourced from PubChem (CID 111507311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).