1-benzyl-N-[3-[benzyl(methyl)amino]propyl]-3-hydroxypiperidine-3-carboxamide

C24H33N3O2 — CID 166233367

IUPAC1-benzyl-N-[3-[benzyl(methyl)amino]propyl]-3-hydroxypiperidine-3-carboxamide
SMILESCN(CCCNC(=O)C1(O)CCCN(Cc2ccccc2)C1)Cc1ccccc1
InChIInChI=1S/C24H33N3O2/c1-26(18-21-10-4-2-5-11-21)16-9-15-25-23(28)24(29)14-8-17-27(20-24)19-22-12-6-3-7-13-22/h2-7,10-13,29H,8-9,14-20H2,1H3,(H,25,28)
InChIKeyUPUZDJMXVIROEI-UHFFFAOYSA-N
MW395.55 g/mol
LogP2.65
Rot. Bonds9

About 1-benzyl-N-[3-[benzyl(methyl)amino]propyl]-3-hydroxypiperidine-3-carboxamide

1-benzyl-N-[3-[benzyl(methyl)amino]propyl]-3-hydroxypiperidine-3-carboxamide (PubChem CID 166233367) has the molecular formula C24H33N3O2 and a molecular weight of 395.55 g/mol. Its IUPAC name is 1-benzyl-N-[3-[benzyl(methyl)amino]propyl]-3-hydroxypiperidine-3-carboxamide.

Molecular Properties

Compound Name1-benzyl-N-[3-[benzyl(methyl)amino]propyl]-3-hydroxypiperidine-3-carboxamide
PubChem CID166233367
Molecular FormulaC24H33N3O2
Molecular Weight395.55 g/mol
Exact Mass395.26
IUPAC Name1-benzyl-N-[3-[benzyl(methyl)amino]propyl]-3-hydroxypiperidine-3-carboxamide
SMILESCN(CCCNC(=O)C1(O)CCCN(Cc2ccccc2)C1)Cc1ccccc1
InChIInChI=1S/C24H33N3O2/c1-26(18-21-10-4-2-5-11-21)16-9-15-25-23(28)24(29)14-8-17-27(20-24)19-22-12-6-3-7-13-22/h2-7,10-13,29H,8-9,14-20H2,1H3,(H,25,28)
InChIKeyUPUZDJMXVIROEI-UHFFFAOYSA-N
XLogP2.65
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.55
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[3-[benzyl(methyl)amino]propyl]-1-pyrrol-1-ylcyclohexane-1-carboxamide
CID 46328251
1-benzyl-3-hydroxypiperidine-3-carboxylic acid;methane;methyl 1-benzyl-3-hydroxypiperidine-3-carboxylate
CID 158643685
N-[3-[benzyl(methyl)amino]propyl]-2-[1-(sulfanylmethyl)cyclopropyl]acetamide
CID 107020537
N-[3-[benzyl(methyl)amino]propyl]-2,2,2-trifluoroacetamide
CID 62490939
N-[3-[benzyl(methyl)amino]propyl]cyclopentanecarboxamide
CID 110461342
1-benzyl-3-methylpiperidin-3-ol
CID 15283107
1-benzyl-3-(methylamino)piperidine-3-carboxylic acid
CID 43753689
N-[3-[benzyl(methyl)amino]butyl]-1-hydroxycyclopentane-1-carboxamide
CID 111565556
2-(1-benzyl-3-hydroxypiperidin-3-yl)-N-but-2-ynylacetamide
CID 126815363
(3R)-1-benzyl-N-[(3,4-dimethoxyphenyl)methyl]-3-hydroxypyrrolidine-3-carboxamide
CID 95769086
N-[3-[benzyl(methyl)amino]propyl]-2-methyl-2-phenylpropanamide
CID 46532557
2-[3-[benzyl(methyl)amino]propylamino]-N-ethylacetamide
CID 28577544

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-[3-[benzyl(methyl)amino]propyl]-3-hydroxypiperidine-3-carboxamide?
The IUPAC name of 1-benzyl-N-[3-[benzyl(methyl)amino]propyl]-3-hydroxypiperidine-3-carboxamide (CID 166233367) is 1-benzyl-N-[3-[benzyl(methyl)amino]propyl]-3-hydroxypiperidine-3-carboxamide.
What is the SMILES notation for 1-benzyl-N-[3-[benzyl(methyl)amino]propyl]-3-hydroxypiperidine-3-carboxamide?
The canonical SMILES for 1-benzyl-N-[3-[benzyl(methyl)amino]propyl]-3-hydroxypiperidine-3-carboxamide is CN(CCCNC(=O)C1(O)CCCN(Cc2ccccc2)C1)Cc1ccccc1.
What is the InChIKey of 1-benzyl-N-[3-[benzyl(methyl)amino]propyl]-3-hydroxypiperidine-3-carboxamide?
The InChIKey is UPUZDJMXVIROEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N3O2/c1-26(18-21-10-4-2-5-11-21)16-9-15-25-23(28)24(29)14-8-17-27(20-24)19-22-12-6-3-7-13-22/h2-7,10-13,29H,8-9,14-20H2,1H3,(H,25,28).
What are the key properties of 1-benzyl-N-[3-[benzyl(methyl)amino]propyl]-3-hydroxypiperidine-3-carboxamide?
1-benzyl-N-[3-[benzyl(methyl)amino]propyl]-3-hydroxypiperidine-3-carboxamide has a molecular weight of 395.55 g/mol, XLogP of 2.65, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-[3-[benzyl(methyl)amino]propyl]-3-hydroxypiperidine-3-carboxamide is sourced from PubChem (CID 166233367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).