N-tert-butyl-2-[4-[[(3-hydroxyphenyl)methylamino]methyl]piperidin-1-yl]acetamide

C19H31N3O2 — CID 71975773

IUPACN-tert-butyl-2-[4-[[(3-hydroxyphenyl)methylamino]methyl]piperidin-1-yl]acetamide
SMILESCC(C)(C)NC(=O)CN1CCC(CNCc2cccc(O)c2)CC1
InChIInChI=1S/C19H31N3O2/c1-19(2,3)21-18(24)14-22-9-7-15(8-10-22)12-20-13-16-5-4-6-17(23)11-16/h4-6,11,15,20,23H,7-10,12-14H2,1-3H3,(H,21,24)
InChIKeyYGXZKRCJIOORIT-UHFFFAOYSA-N
MW333.48 g/mol
LogP2.11
Rot. Bonds6

About N-tert-butyl-2-[4-[[(3-hydroxyphenyl)methylamino]methyl]piperidin-1-yl]acetamide

N-tert-butyl-2-[4-[[(3-hydroxyphenyl)methylamino]methyl]piperidin-1-yl]acetamide (PubChem CID 71975773) has the molecular formula C19H31N3O2 and a molecular weight of 333.48 g/mol. Its IUPAC name is N-tert-butyl-2-[4-[[(3-hydroxyphenyl)methylamino]methyl]piperidin-1-yl]acetamide.

Molecular Properties

Compound NameN-tert-butyl-2-[4-[[(3-hydroxyphenyl)methylamino]methyl]piperidin-1-yl]acetamide
PubChem CID71975773
Molecular FormulaC19H31N3O2
Molecular Weight333.48 g/mol
Exact Mass333.24
IUPAC NameN-tert-butyl-2-[4-[[(3-hydroxyphenyl)methylamino]methyl]piperidin-1-yl]acetamide
SMILESCC(C)(C)NC(=O)CN1CCC(CNCc2cccc(O)c2)CC1
InChIInChI=1S/C19H31N3O2/c1-19(2,3)21-18(24)14-22-9-7-15(8-10-22)12-20-13-16-5-4-6-17(23)11-16/h4-6,11,15,20,23H,7-10,12-14H2,1-3H3,(H,21,24)
InChIKeyYGXZKRCJIOORIT-UHFFFAOYSA-N
XLogP2.11
TPSA64.60 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.48
LogP ≤ 52.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-tert-butyl-2-[4-[(2-methylpropylamino)methyl]piperidin-1-yl]acetamide
CID 63848272
N-tert-butyl-2-(3-hydroxyphenyl)acetamide
CID 61399885
N-[(3-methoxyphenyl)methyl]-2-[4-(methylaminomethyl)piperidin-1-yl]acetamide
CID 119922266
2-[4-[[(N'-benzyl-N,N-dimethylcarbamimidoyl)amino]methyl]piperidin-1-yl]-N-tert-butylacetamide;hydroiodide
CID 111859764
N-[[1-[2-(tert-butylamino)-2-oxoethyl]piperidin-4-yl]methyl]-3-[(2E,4E)-3,5-dichlorohexa-2,4-dienyl]benzamide
CID 146617337
2-[4-[(1H-benzimidazol-2-ylamino)methyl]piperidin-1-yl]-N-tert-butylacetamide
CID 133410842
2-[4-[(3-hydroxyphenyl)methylamino]piperidin-1-yl]acetamide
CID 43746822
N-[[1-[2-(tert-butylamino)-2-oxoethyl]piperidin-4-yl]methyl]-1-[(4-fluorophenyl)methyl]cyclopropane-1-carboxamide
CID 170153352
2-(4-aminopiperidin-1-yl)-N-tert-butylacetamide;dihydrochloride
CID 56773517
N-tert-butyl-2-[3-(methylaminomethyl)pyrrolidin-1-yl]acetamide;hydrochloride
CID 119922204
N-tert-butyl-2-[4-[[(8-fluoroquinazolin-4-yl)amino]methyl]piperidin-1-yl]acetamide
CID 119049557
2-cyclopropyl-N-[(3-hydroxyphenyl)methyl]acetamide
CID 61150791

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[4-[[(3-hydroxyphenyl)methylamino]methyl]piperidin-1-yl]acetamide?
The IUPAC name of N-tert-butyl-2-[4-[[(3-hydroxyphenyl)methylamino]methyl]piperidin-1-yl]acetamide (CID 71975773) is N-tert-butyl-2-[4-[[(3-hydroxyphenyl)methylamino]methyl]piperidin-1-yl]acetamide.
What is the SMILES notation for N-tert-butyl-2-[4-[[(3-hydroxyphenyl)methylamino]methyl]piperidin-1-yl]acetamide?
The canonical SMILES for N-tert-butyl-2-[4-[[(3-hydroxyphenyl)methylamino]methyl]piperidin-1-yl]acetamide is CC(C)(C)NC(=O)CN1CCC(CNCc2cccc(O)c2)CC1.
What is the InChIKey of N-tert-butyl-2-[4-[[(3-hydroxyphenyl)methylamino]methyl]piperidin-1-yl]acetamide?
The InChIKey is YGXZKRCJIOORIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N3O2/c1-19(2,3)21-18(24)14-22-9-7-15(8-10-22)12-20-13-16-5-4-6-17(23)11-16/h4-6,11,15,20,23H,7-10,12-14H2,1-3H3,(H,21,24).
What are the key properties of N-tert-butyl-2-[4-[[(3-hydroxyphenyl)methylamino]methyl]piperidin-1-yl]acetamide?
N-tert-butyl-2-[4-[[(3-hydroxyphenyl)methylamino]methyl]piperidin-1-yl]acetamide has a molecular weight of 333.48 g/mol, XLogP of 2.11, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[4-[[(3-hydroxyphenyl)methylamino]methyl]piperidin-1-yl]acetamide is sourced from PubChem (CID 71975773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).