N-[3-(dimethylamino)-2,2-dimethylpropyl]-1-[(2-hydroxyphenyl)methyl]piperidine-4-carboxamide

C20H33N3O2 — CID 652004

IUPACN-[3-(dimethylamino)-2,2-dimethylpropyl]-1-[(2-hydroxyphenyl)methyl]piperidine-4-carboxamide
SMILESCN(C)CC(C)(C)CNC(=O)C1CCN(Cc2ccccc2O)CC1
InChIInChI=1S/C20H33N3O2/c1-20(2,15-22(3)4)14-21-19(25)16-9-11-23(12-10-16)13-17-7-5-6-8-18(17)24/h5-8,16,24H,9-15H2,1-4H3,(H,21,25)
InChIKeyLRXLNMZQHZJZBB-UHFFFAOYSA-N
MW347.50 g/mol
LogP2.31
Rot. Bonds7

About N-[3-(dimethylamino)-2,2-dimethylpropyl]-1-[(2-hydroxyphenyl)methyl]piperidine-4-carboxamide

N-[3-(dimethylamino)-2,2-dimethylpropyl]-1-[(2-hydroxyphenyl)methyl]piperidine-4-carboxamide (PubChem CID 652004) has the molecular formula C20H33N3O2 and a molecular weight of 347.50 g/mol. Its IUPAC name is N-[3-(dimethylamino)-2,2-dimethylpropyl]-1-[(2-hydroxyphenyl)methyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[3-(dimethylamino)-2,2-dimethylpropyl]-1-[(2-hydroxyphenyl)methyl]piperidine-4-carboxamide
PubChem CID652004
Molecular FormulaC20H33N3O2
Molecular Weight347.50 g/mol
Exact Mass347.26
IUPAC NameN-[3-(dimethylamino)-2,2-dimethylpropyl]-1-[(2-hydroxyphenyl)methyl]piperidine-4-carboxamide
SMILESCN(C)CC(C)(C)CNC(=O)C1CCN(Cc2ccccc2O)CC1
InChIInChI=1S/C20H33N3O2/c1-20(2,15-22(3)4)14-21-19(25)16-9-11-23(12-10-16)13-17-7-5-6-8-18(17)24/h5-8,16,24H,9-15H2,1-4H3,(H,21,25)
InChIKeyLRXLNMZQHZJZBB-UHFFFAOYSA-N
XLogP2.31
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.50
LogP ≤ 52.31
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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Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylamino)-2,2-dimethylpropyl]-1-[(2-hydroxyphenyl)methyl]piperidine-4-carboxamide?
The IUPAC name of N-[3-(dimethylamino)-2,2-dimethylpropyl]-1-[(2-hydroxyphenyl)methyl]piperidine-4-carboxamide (CID 652004) is N-[3-(dimethylamino)-2,2-dimethylpropyl]-1-[(2-hydroxyphenyl)methyl]piperidine-4-carboxamide.
What is the SMILES notation for N-[3-(dimethylamino)-2,2-dimethylpropyl]-1-[(2-hydroxyphenyl)methyl]piperidine-4-carboxamide?
The canonical SMILES for N-[3-(dimethylamino)-2,2-dimethylpropyl]-1-[(2-hydroxyphenyl)methyl]piperidine-4-carboxamide is CN(C)CC(C)(C)CNC(=O)C1CCN(Cc2ccccc2O)CC1.
What is the InChIKey of N-[3-(dimethylamino)-2,2-dimethylpropyl]-1-[(2-hydroxyphenyl)methyl]piperidine-4-carboxamide?
The InChIKey is LRXLNMZQHZJZBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33N3O2/c1-20(2,15-22(3)4)14-21-19(25)16-9-11-23(12-10-16)13-17-7-5-6-8-18(17)24/h5-8,16,24H,9-15H2,1-4H3,(H,21,25).
What are the key properties of N-[3-(dimethylamino)-2,2-dimethylpropyl]-1-[(2-hydroxyphenyl)methyl]piperidine-4-carboxamide?
N-[3-(dimethylamino)-2,2-dimethylpropyl]-1-[(2-hydroxyphenyl)methyl]piperidine-4-carboxamide has a molecular weight of 347.50 g/mol, XLogP of 2.31, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylamino)-2,2-dimethylpropyl]-1-[(2-hydroxyphenyl)methyl]piperidine-4-carboxamide is sourced from PubChem (CID 652004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).