N-tert-butyl-1-[(2-hydroxy-3-methoxyphenyl)methyl]piperidine-4-carboxamide

C18H28N2O3 — CID 795625

IUPACN-tert-butyl-1-[(2-hydroxy-3-methoxyphenyl)methyl]piperidine-4-carboxamide
SMILESCOc1cccc(CN2CCC(C(=O)NC(C)(C)C)CC2)c1O
InChIInChI=1S/C18H28N2O3/c1-18(2,3)19-17(22)13-8-10-20(11-9-13)12-14-6-5-7-15(23-4)16(14)21/h5-7,13,21H,8-12H2,1-4H3,(H,19,22)
InChIKeyYJHGMACWPUFXBI-UHFFFAOYSA-N
MW320.43 g/mol
LogP2.53
Rot. Bonds4

About N-tert-butyl-1-[(2-hydroxy-3-methoxyphenyl)methyl]piperidine-4-carboxamide

N-tert-butyl-1-[(2-hydroxy-3-methoxyphenyl)methyl]piperidine-4-carboxamide (PubChem CID 795625) has the molecular formula C18H28N2O3 and a molecular weight of 320.43 g/mol. Its IUPAC name is N-tert-butyl-1-[(2-hydroxy-3-methoxyphenyl)methyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-1-[(2-hydroxy-3-methoxyphenyl)methyl]piperidine-4-carboxamide
PubChem CID795625
Molecular FormulaC18H28N2O3
Molecular Weight320.43 g/mol
Exact Mass320.21
IUPAC NameN-tert-butyl-1-[(2-hydroxy-3-methoxyphenyl)methyl]piperidine-4-carboxamide
SMILESCOc1cccc(CN2CCC(C(=O)NC(C)(C)C)CC2)c1O
InChIInChI=1S/C18H28N2O3/c1-18(2,3)19-17(22)13-8-10-20(11-9-13)12-14-6-5-7-15(23-4)16(14)21/h5-7,13,21H,8-12H2,1-4H3,(H,19,22)
InChIKeyYJHGMACWPUFXBI-UHFFFAOYSA-N
XLogP2.53
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.43
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

1-[(2-hydroxy-3-methoxyphenyl)methyl]piperidine-4-carboxamide
CID 3884860
N-[(2-chlorophenyl)methyl]-1-[(2-hydroxy-3-methoxyphenyl)methyl]piperidine-4-carboxamide
CID 4319711
N-(1-hydroxy-2-methylpropan-2-yl)-1-[(2-methoxyphenyl)methyl]piperidine-4-carboxamide
CID 51362417
2-methoxy-6-[(4-methylpiperidin-1-yl)methyl]phenol;oxalic acid
CID 163328183
2-methoxy-6-[(4-propylpiperidin-1-yl)methyl]phenol
CID 82979967
[1-[(2-hydroxy-3-methoxyphenyl)methyl]piperidin-4-yl]-(4-methylpiperidin-1-yl)methanone;oxalic acid
CID 123132440
1-[(3-ethoxy-2-hydroxyphenyl)methyl]-N-(2-methoxyethyl)piperidine-4-carboxamide
CID 30137372
1-[(2-hydroxy-3-methylphenyl)methyl]-N-methylpiperidine-4-carboxamide
CID 112553393
N-[3-[[4-(tert-butylcarbamoyl)piperidin-1-yl]methyl]-2-methoxyphenyl]-6-(trifluoromethyl)pyridine-2-carboxamide
CID 118521879
2-methoxy-6-[[4-[(1S)-1-(4-methylpiperazin-1-yl)ethyl]piperidin-1-yl]methyl]phenol
CID 95135561
2-methoxy-6-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]phenol
CID 82962319
N-tert-butyl-1-[(2-chloro-6-fluorophenyl)methyl]piperidine-4-carboxamide
CID 25249339

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-1-[(2-hydroxy-3-methoxyphenyl)methyl]piperidine-4-carboxamide?
The IUPAC name of N-tert-butyl-1-[(2-hydroxy-3-methoxyphenyl)methyl]piperidine-4-carboxamide (CID 795625) is N-tert-butyl-1-[(2-hydroxy-3-methoxyphenyl)methyl]piperidine-4-carboxamide.
What is the SMILES notation for N-tert-butyl-1-[(2-hydroxy-3-methoxyphenyl)methyl]piperidine-4-carboxamide?
The canonical SMILES for N-tert-butyl-1-[(2-hydroxy-3-methoxyphenyl)methyl]piperidine-4-carboxamide is COc1cccc(CN2CCC(C(=O)NC(C)(C)C)CC2)c1O.
What is the InChIKey of N-tert-butyl-1-[(2-hydroxy-3-methoxyphenyl)methyl]piperidine-4-carboxamide?
The InChIKey is YJHGMACWPUFXBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O3/c1-18(2,3)19-17(22)13-8-10-20(11-9-13)12-14-6-5-7-15(23-4)16(14)21/h5-7,13,21H,8-12H2,1-4H3,(H,19,22).
What are the key properties of N-tert-butyl-1-[(2-hydroxy-3-methoxyphenyl)methyl]piperidine-4-carboxamide?
N-tert-butyl-1-[(2-hydroxy-3-methoxyphenyl)methyl]piperidine-4-carboxamide has a molecular weight of 320.43 g/mol, XLogP of 2.53, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-1-[(2-hydroxy-3-methoxyphenyl)methyl]piperidine-4-carboxamide is sourced from PubChem (CID 795625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).