1-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]-N-propan-2-ylpiperidine-4-carboxamide

C24H40N2O2 — CID 3650832

IUPAC1-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]-N-propan-2-ylpiperidine-4-carboxamide
SMILESCC(C)NC(=O)C1CCN(Cc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)CC1
InChIInChI=1S/C24H40N2O2/c1-16(2)25-22(28)18-9-11-26(12-10-18)15-17-13-19(23(3,4)5)21(27)20(14-17)24(6,7)8/h13-14,16,18,27H,9-12,15H2,1-8H3,(H,25,28)
InChIKeyYRJLGDZGJUDOLY-UHFFFAOYSA-N
MW388.60 g/mol
LogP4.72
Rot. Bonds4

About 1-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]-N-propan-2-ylpiperidine-4-carboxamide

1-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]-N-propan-2-ylpiperidine-4-carboxamide (PubChem CID 3650832) has the molecular formula C24H40N2O2 and a molecular weight of 388.60 g/mol. Its IUPAC name is 1-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]-N-propan-2-ylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]-N-propan-2-ylpiperidine-4-carboxamide
PubChem CID3650832
Molecular FormulaC24H40N2O2
Molecular Weight388.60 g/mol
Exact Mass388.31
IUPAC Name1-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]-N-propan-2-ylpiperidine-4-carboxamide
SMILESCC(C)NC(=O)C1CCN(Cc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)CC1
InChIInChI=1S/C24H40N2O2/c1-16(2)25-22(28)18-9-11-26(12-10-18)15-17-13-19(23(3,4)5)21(27)20(14-17)24(6,7)8/h13-14,16,18,27H,9-12,15H2,1-8H3,(H,25,28)
InChIKeyYRJLGDZGJUDOLY-UHFFFAOYSA-N
XLogP4.72
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.60
LogP ≤ 54.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(3-bromophenyl)methyl]-N-propan-2-ylpiperidine-4-carboxamide;oxalic acid
CID 163328458
2,6-ditert-butyl-4-[(4-methylpiperazin-1-yl)methyl]phenol
CID 751703
1-[(4-ethoxyphenyl)methyl]-N-propan-2-ylpiperidine-4-carboxamide;oxalic acid
CID 163328544
1-(naphthalen-1-ylmethyl)-N-propan-2-ylpiperidine-4-carboxamide
CID 60609439
[1-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]piperidin-4-yl]-[4-(2-ethoxyphenyl)piperazin-1-yl]methanone
CID 3901784
1-[(3,4-dichlorophenyl)methyl]-N-pentan-3-ylpiperidine-4-carboxamide
CID 53284678
N-(2,4-dimethylpentan-3-yl)-1-[(4-fluorophenyl)methyl]piperidine-4-carboxamide
CID 42562266
1-[(3-chlorophenyl)methyl]-N-[(1S)-1-phenylethyl]piperidine-4-carboxamide
CID 1343521
N-[1-(2,4-dimethylphenyl)ethyl]-1-[(3-methylphenyl)methyl]piperidine-4-carboxamide
CID 46776363
N-propan-2-yl-1-[(2-pyridin-3-ylphenyl)methyl]piperidine-4-carboxamide
CID 134803038
2,6-ditert-butyl-4-[(2,6-dimethylmorpholin-4-yl)methyl]phenol
CID 3537388
1-benzyl-N-(1-pyridin-4-ylpropan-2-yl)piperidine-4-carboxamide
CID 138044187

Frequently Asked Questions

What is the IUPAC name of 1-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]-N-propan-2-ylpiperidine-4-carboxamide?
The IUPAC name of 1-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]-N-propan-2-ylpiperidine-4-carboxamide (CID 3650832) is 1-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]-N-propan-2-ylpiperidine-4-carboxamide.
What is the SMILES notation for 1-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]-N-propan-2-ylpiperidine-4-carboxamide?
The canonical SMILES for 1-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]-N-propan-2-ylpiperidine-4-carboxamide is CC(C)NC(=O)C1CCN(Cc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)CC1.
What is the InChIKey of 1-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]-N-propan-2-ylpiperidine-4-carboxamide?
The InChIKey is YRJLGDZGJUDOLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H40N2O2/c1-16(2)25-22(28)18-9-11-26(12-10-18)15-17-13-19(23(3,4)5)21(27)20(14-17)24(6,7)8/h13-14,16,18,27H,9-12,15H2,1-8H3,(H,25,28).
What are the key properties of 1-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]-N-propan-2-ylpiperidine-4-carboxamide?
1-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]-N-propan-2-ylpiperidine-4-carboxamide has a molecular weight of 388.60 g/mol, XLogP of 4.72, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]-N-propan-2-ylpiperidine-4-carboxamide is sourced from PubChem (CID 3650832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).