4-(hydroxymethyl)-N-(4-methoxy-4-methylpentan-2-yl)piperidine-1-carboxamide

C14H28N2O3 — CID 71867880

IUPAC4-(hydroxymethyl)-N-(4-methoxy-4-methylpentan-2-yl)piperidine-1-carboxamide
SMILESCOC(C)(C)CC(C)NC(=O)N1CCC(CO)CC1
InChIInChI=1S/C14H28N2O3/c1-11(9-14(2,3)19-4)15-13(18)16-7-5-12(10-17)6-8-16/h11-12,17H,5-10H2,1-4H3,(H,15,18)
InChIKeyGHJLJTYPLDFBMC-UHFFFAOYSA-N
MW272.39 g/mol
LogP1.60
Rot. Bonds5

About 4-(hydroxymethyl)-N-(4-methoxy-4-methylpentan-2-yl)piperidine-1-carboxamide

4-(hydroxymethyl)-N-(4-methoxy-4-methylpentan-2-yl)piperidine-1-carboxamide (PubChem CID 71867880) has the molecular formula C14H28N2O3 and a molecular weight of 272.39 g/mol. Its IUPAC name is 4-(hydroxymethyl)-N-(4-methoxy-4-methylpentan-2-yl)piperidine-1-carboxamide.

Molecular Properties

Compound Name4-(hydroxymethyl)-N-(4-methoxy-4-methylpentan-2-yl)piperidine-1-carboxamide
PubChem CID71867880
Molecular FormulaC14H28N2O3
Molecular Weight272.39 g/mol
Exact Mass272.21
IUPAC Name4-(hydroxymethyl)-N-(4-methoxy-4-methylpentan-2-yl)piperidine-1-carboxamide
SMILESCOC(C)(C)CC(C)NC(=O)N1CCC(CO)CC1
InChIInChI=1S/C14H28N2O3/c1-11(9-14(2,3)19-4)15-13(18)16-7-5-12(10-17)6-8-16/h11-12,17H,5-10H2,1-4H3,(H,15,18)
InChIKeyGHJLJTYPLDFBMC-UHFFFAOYSA-N
XLogP1.60
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-butan-2-yl-3-(2-hydroxyethyl)piperidine-1-carboxamide
CID 56794735
3-(2-hydroxypropyl)-N-(4-methylhexan-2-yl)morpholine-4-carboxamide
CID 86795742
N-(4-methoxy-4-methylpentan-2-yl)-4-(2,2,2-trifluoro-1-hydroxyethyl)piperidine-1-carboxamide
CID 71968507
4-hydroxy-N-(1-methoxy-4-methylpentan-3-yl)-4-(trifluoromethyl)piperidine-1-carboxamide
CID 75443058
4-(hydroxymethyl)-N-(1,1,1-trifluoro-4,4-dimethylpentan-2-yl)piperidine-1-carboxamide
CID 75522549
4-hydroxy-N-[(3R)-1-methoxy-4-methylpentan-3-yl]-4-(trifluoromethyl)piperidine-1-carboxamide
CID 97334288
4-hydroxy-N-[(3S)-1-methoxy-4-methylpentan-3-yl]-4-(trifluoromethyl)piperidine-1-carboxamide
CID 97334289
N-[(2S)-4-methoxy-4-methylpentan-2-yl]-4-[(1S)-2,2,2-trifluoro-1-hydroxyethyl]piperidine-1-carboxamide
CID 97602711
N-[(2R)-4-methoxy-4-methylpentan-2-yl]-4-[(1S)-2,2,2-trifluoro-1-hydroxyethyl]piperidine-1-carboxamide
CID 97602713
N-[(2S)-4-methoxy-4-methylpentan-2-yl]-4-[(1R)-2,2,2-trifluoro-1-hydroxyethyl]piperidine-1-carboxamide
CID 97602715
N-[(2R)-4-methoxy-4-methylpentan-2-yl]-4-[(1R)-2,2,2-trifluoro-1-hydroxyethyl]piperidine-1-carboxamide
CID 97602717
4-(hydroxymethyl)-N-[(2S)-1,1,1-trifluoro-4,4-dimethylpentan-2-yl]piperidine-1-carboxamide
CID 97830985

Frequently Asked Questions

What is the IUPAC name of 4-(hydroxymethyl)-N-(4-methoxy-4-methylpentan-2-yl)piperidine-1-carboxamide?
The IUPAC name of 4-(hydroxymethyl)-N-(4-methoxy-4-methylpentan-2-yl)piperidine-1-carboxamide (CID 71867880) is 4-(hydroxymethyl)-N-(4-methoxy-4-methylpentan-2-yl)piperidine-1-carboxamide.
What is the SMILES notation for 4-(hydroxymethyl)-N-(4-methoxy-4-methylpentan-2-yl)piperidine-1-carboxamide?
The canonical SMILES for 4-(hydroxymethyl)-N-(4-methoxy-4-methylpentan-2-yl)piperidine-1-carboxamide is COC(C)(C)CC(C)NC(=O)N1CCC(CO)CC1.
What is the InChIKey of 4-(hydroxymethyl)-N-(4-methoxy-4-methylpentan-2-yl)piperidine-1-carboxamide?
The InChIKey is GHJLJTYPLDFBMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O3/c1-11(9-14(2,3)19-4)15-13(18)16-7-5-12(10-17)6-8-16/h11-12,17H,5-10H2,1-4H3,(H,15,18).
What are the key properties of 4-(hydroxymethyl)-N-(4-methoxy-4-methylpentan-2-yl)piperidine-1-carboxamide?
4-(hydroxymethyl)-N-(4-methoxy-4-methylpentan-2-yl)piperidine-1-carboxamide has a molecular weight of 272.39 g/mol, XLogP of 1.60, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(hydroxymethyl)-N-(4-methoxy-4-methylpentan-2-yl)piperidine-1-carboxamide is sourced from PubChem (CID 71867880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).