N-[[(3R)-1-[(5-hydroxy-2-methoxyphenyl)methyl]piperidin-3-yl]methyl]cyclobutanecarboxamide

C19H28N2O3 — CID 95189957

IUPACN-[[(3R)-1-[(5-hydroxy-2-methoxyphenyl)methyl]piperidin-3-yl]methyl]cyclobutanecarboxamide
SMILESCOc1ccc(O)cc1CN1CCC[C@H](CNC(=O)C2CCC2)C1
InChIInChI=1S/C19H28N2O3/c1-24-18-8-7-17(22)10-16(18)13-21-9-3-4-14(12-21)11-20-19(23)15-5-2-6-15/h7-8,10,14-15,22H,2-6,9,11-13H2,1H3,(H,20,23)/t14-/m1/s1
InChIKeyAHKWVQATKNQEOT-CQSZACIVSA-N
MW332.44 g/mol
LogP2.53
Rot. Bonds6

About N-[[(3R)-1-[(5-hydroxy-2-methoxyphenyl)methyl]piperidin-3-yl]methyl]cyclobutanecarboxamide

N-[[(3R)-1-[(5-hydroxy-2-methoxyphenyl)methyl]piperidin-3-yl]methyl]cyclobutanecarboxamide (PubChem CID 95189957) has the molecular formula C19H28N2O3 and a molecular weight of 332.44 g/mol. Its IUPAC name is N-[[(3R)-1-[(5-hydroxy-2-methoxyphenyl)methyl]piperidin-3-yl]methyl]cyclobutanecarboxamide.

Molecular Properties

Compound NameN-[[(3R)-1-[(5-hydroxy-2-methoxyphenyl)methyl]piperidin-3-yl]methyl]cyclobutanecarboxamide
PubChem CID95189957
Molecular FormulaC19H28N2O3
Molecular Weight332.44 g/mol
Exact Mass332.21
IUPAC NameN-[[(3R)-1-[(5-hydroxy-2-methoxyphenyl)methyl]piperidin-3-yl]methyl]cyclobutanecarboxamide
SMILESCOc1ccc(O)cc1CN1CCC[C@H](CNC(=O)C2CCC2)C1
InChIInChI=1S/C19H28N2O3/c1-24-18-8-7-17(22)10-16(18)13-21-9-3-4-14(12-21)11-20-19(23)15-5-2-6-15/h7-8,10,14-15,22H,2-6,9,11-13H2,1H3,(H,20,23)/t14-/m1/s1
InChIKeyAHKWVQATKNQEOT-CQSZACIVSA-N
XLogP2.53
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.44
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[1-[(5-hydroxy-2-methoxyphenyl)methyl]piperidin-3-yl]methyl]-3-methylbut-2-enamide
CID 56752294
2-hydroxy-N-[[1-[(5-hydroxy-2-methoxyphenyl)methyl]piperidin-4-yl]methyl]acetamide
CID 56710117
4-methoxy-3-[[3-(methoxymethyl)piperidin-1-yl]methyl]benzoic acid
CID 106588718
4-methoxy-3-[[3-(3-methylphenyl)piperidin-1-yl]methyl]phenol
CID 131924193
2-hydroxy-N-[[(3R)-1-[(4-methoxy-3-methylphenyl)methyl]piperidin-3-yl]methyl]acetamide
CID 95209152
N-[[1-(2-oxo-2-pyrrolidin-1-ylethyl)piperidin-3-yl]methyl]cyclobutanecarboxamide
CID 131924742
1-[(5-ethyl-2-methoxyphenyl)methyl]piperidine-3-carboxylic acid
CID 3571915
(3R)-1-[(5-bromo-2-methoxyphenyl)methyl]piperidine-3-carboxamide
CID 27267231
3-[(3-carbamoylpiperidin-1-yl)methyl]-4-methoxybenzoic acid
CID 62019341
N-[[(3S)-1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]cyclopentanecarboxamide
CID 94819121
N-[(2-methoxyphenyl)methyl]-1-(naphthalen-1-ylmethyl)piperidine-3-carboxamide
CID 43921128
[3-[(3-ethylpiperidin-1-yl)methyl]-4-methoxyphenyl]methanol
CID 62018213

Frequently Asked Questions

What is the IUPAC name of N-[[(3R)-1-[(5-hydroxy-2-methoxyphenyl)methyl]piperidin-3-yl]methyl]cyclobutanecarboxamide?
The IUPAC name of N-[[(3R)-1-[(5-hydroxy-2-methoxyphenyl)methyl]piperidin-3-yl]methyl]cyclobutanecarboxamide (CID 95189957) is N-[[(3R)-1-[(5-hydroxy-2-methoxyphenyl)methyl]piperidin-3-yl]methyl]cyclobutanecarboxamide.
What is the SMILES notation for N-[[(3R)-1-[(5-hydroxy-2-methoxyphenyl)methyl]piperidin-3-yl]methyl]cyclobutanecarboxamide?
The canonical SMILES for N-[[(3R)-1-[(5-hydroxy-2-methoxyphenyl)methyl]piperidin-3-yl]methyl]cyclobutanecarboxamide is COc1ccc(O)cc1CN1CCC[C@H](CNC(=O)C2CCC2)C1.
What is the InChIKey of N-[[(3R)-1-[(5-hydroxy-2-methoxyphenyl)methyl]piperidin-3-yl]methyl]cyclobutanecarboxamide?
The InChIKey is AHKWVQATKNQEOT-CQSZACIVSA-N. The full InChI is InChI=1S/C19H28N2O3/c1-24-18-8-7-17(22)10-16(18)13-21-9-3-4-14(12-21)11-20-19(23)15-5-2-6-15/h7-8,10,14-15,22H,2-6,9,11-13H2,1H3,(H,20,23)/t14-/m1/s1.
What are the key properties of N-[[(3R)-1-[(5-hydroxy-2-methoxyphenyl)methyl]piperidin-3-yl]methyl]cyclobutanecarboxamide?
N-[[(3R)-1-[(5-hydroxy-2-methoxyphenyl)methyl]piperidin-3-yl]methyl]cyclobutanecarboxamide has a molecular weight of 332.44 g/mol, XLogP of 2.53, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3R)-1-[(5-hydroxy-2-methoxyphenyl)methyl]piperidin-3-yl]methyl]cyclobutanecarboxamide is sourced from PubChem (CID 95189957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).