[1-(5-formyl-3-methyl-2-pyridinyl)piperidin-4-yl]methyl N-tert-butylcarbamate

C18H27N3O3 — CID 154673240

IUPAC[1-(5-formyl-3-methyl-2-pyridinyl)piperidin-4-yl]methyl N-tert-butylcarbamate
SMILESCc1cc(C=O)cnc1N1CCC(COC(=O)NC(C)(C)C)CC1
InChIInChI=1S/C18H27N3O3/c1-13-9-15(11-22)10-19-16(13)21-7-5-14(6-8-21)12-24-17(23)20-18(2,3)4/h9-11,14H,5-8,12H2,1-4H3,(H,20,23)
InChIKeyTVJUCGKHXSATIU-UHFFFAOYSA-N
MW333.43 g/mol
LogP2.94
Rot. Bonds4

About [1-(5-formyl-3-methyl-2-pyridinyl)piperidin-4-yl]methyl N-tert-butylcarbamate

[1-(5-formyl-3-methyl-2-pyridinyl)piperidin-4-yl]methyl N-tert-butylcarbamate (PubChem CID 154673240) has the molecular formula C18H27N3O3 and a molecular weight of 333.43 g/mol. Its IUPAC name is [1-(5-formyl-3-methyl-2-pyridinyl)piperidin-4-yl]methyl N-tert-butylcarbamate.

Molecular Properties

Compound Name[1-(5-formyl-3-methyl-2-pyridinyl)piperidin-4-yl]methyl N-tert-butylcarbamate
PubChem CID154673240
Molecular FormulaC18H27N3O3
Molecular Weight333.43 g/mol
Exact Mass333.21
IUPAC Name[1-(5-formyl-3-methyl-2-pyridinyl)piperidin-4-yl]methyl N-tert-butylcarbamate
SMILESCc1cc(C=O)cnc1N1CCC(COC(=O)NC(C)(C)C)CC1
InChIInChI=1S/C18H27N3O3/c1-13-9-15(11-22)10-19-16(13)21-7-5-14(6-8-21)12-24-17(23)20-18(2,3)4/h9-11,14H,5-8,12H2,1-4H3,(H,20,23)
InChIKeyTVJUCGKHXSATIU-UHFFFAOYSA-N
XLogP2.94
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.43
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

6-[4-(methoxymethyl)piperidin-1-yl]-5-methylpyridine-3-carbaldehyde
CID 80632225
6-(4-tert-butylpiperidin-1-yl)-5-methylpyridine-3-carbaldehyde
CID 80631324
5-methyl-6-(4-methylpiperidin-1-yl)pyridine-3-carbaldehyde
CID 80637128
6-(4-methoxypiperidin-1-yl)-5-methylpyridine-3-carbaldehyde
CID 80636958
6-[4-(dimethylamino)piperidin-1-yl]-5-methylpyridine-3-carbaldehyde
CID 80637820
(E)-3-[6-[4-(methoxymethyl)piperidin-1-yl]-5-methyl-3-pyridinyl]prop-2-enoic acid
CID 80638023
6-[3-(methoxymethyl)piperidin-1-yl]-5-methylpyridine-3-carbaldehyde
CID 106587511
[1-[4-(trifluoromethyl)phenyl]piperidin-4-yl]methyl N-tert-butylcarbamate
CID 174605305
6-[3-(dimethylamino)pyrrolidin-1-yl]-5-methylpyridine-3-carbaldehyde
CID 80630963
2-[1-(5-amino-3-methyl-2-pyridinyl)piperidin-4-yl]acetamide
CID 62475541
5-methyl-6-(4-propylpiperazin-1-yl)pyridine-3-carbaldehyde
CID 80636949
(E)-3-[6-(4-methoxypiperidin-1-yl)-5-methyl-3-pyridinyl]prop-2-enoic acid
CID 80633393

Frequently Asked Questions

What is the IUPAC name of [1-(5-formyl-3-methyl-2-pyridinyl)piperidin-4-yl]methyl N-tert-butylcarbamate?
The IUPAC name of [1-(5-formyl-3-methyl-2-pyridinyl)piperidin-4-yl]methyl N-tert-butylcarbamate (CID 154673240) is [1-(5-formyl-3-methyl-2-pyridinyl)piperidin-4-yl]methyl N-tert-butylcarbamate.
What is the SMILES notation for [1-(5-formyl-3-methyl-2-pyridinyl)piperidin-4-yl]methyl N-tert-butylcarbamate?
The canonical SMILES for [1-(5-formyl-3-methyl-2-pyridinyl)piperidin-4-yl]methyl N-tert-butylcarbamate is Cc1cc(C=O)cnc1N1CCC(COC(=O)NC(C)(C)C)CC1.
What is the InChIKey of [1-(5-formyl-3-methyl-2-pyridinyl)piperidin-4-yl]methyl N-tert-butylcarbamate?
The InChIKey is TVJUCGKHXSATIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O3/c1-13-9-15(11-22)10-19-16(13)21-7-5-14(6-8-21)12-24-17(23)20-18(2,3)4/h9-11,14H,5-8,12H2,1-4H3,(H,20,23).
What are the key properties of [1-(5-formyl-3-methyl-2-pyridinyl)piperidin-4-yl]methyl N-tert-butylcarbamate?
[1-(5-formyl-3-methyl-2-pyridinyl)piperidin-4-yl]methyl N-tert-butylcarbamate has a molecular weight of 333.43 g/mol, XLogP of 2.94, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(5-formyl-3-methyl-2-pyridinyl)piperidin-4-yl]methyl N-tert-butylcarbamate is sourced from PubChem (CID 154673240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).