butyl 4-(pyridine-2-carbonylamino)piperidine-1-carboxylate

C16H23N3O3 — CID 108562788

IUPACbutyl 4-(pyridine-2-carbonylamino)piperidine-1-carboxylate
SMILESCCCCOC(=O)N1CCC(NC(=O)c2ccccn2)CC1
InChIInChI=1S/C16H23N3O3/c1-2-3-12-22-16(21)19-10-7-13(8-11-19)18-15(20)14-6-4-5-9-17-14/h4-6,9,13H,2-3,7-8,10-12H2,1H3,(H,18,20)
InChIKeyJYQPRSUSADWDJA-UHFFFAOYSA-N
MW305.38 g/mol
LogP2.21
Rot. Bonds5

About butyl 4-(pyridine-2-carbonylamino)piperidine-1-carboxylate

butyl 4-(pyridine-2-carbonylamino)piperidine-1-carboxylate (PubChem CID 108562788) has the molecular formula C16H23N3O3 and a molecular weight of 305.38 g/mol. Its IUPAC name is butyl 4-(pyridine-2-carbonylamino)piperidine-1-carboxylate.

Molecular Properties

Compound Namebutyl 4-(pyridine-2-carbonylamino)piperidine-1-carboxylate
PubChem CID108562788
Molecular FormulaC16H23N3O3
Molecular Weight305.38 g/mol
Exact Mass305.17
IUPAC Namebutyl 4-(pyridine-2-carbonylamino)piperidine-1-carboxylate
SMILESCCCCOC(=O)N1CCC(NC(=O)c2ccccn2)CC1
InChIInChI=1S/C16H23N3O3/c1-2-3-12-22-16(21)19-10-7-13(8-11-19)18-15(20)14-6-4-5-9-17-14/h4-6,9,13H,2-3,7-8,10-12H2,1H3,(H,18,20)
InChIKeyJYQPRSUSADWDJA-UHFFFAOYSA-N
XLogP2.21
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

prop-2-enyl 4-(pyridine-2-carbonylamino)piperidine-1-carboxylate
CID 108562791
butyl 4-(pyridine-4-carbonylamino)piperidine-1-carboxylate
CID 108562444
ethyl 4-[[(1R,2S)-2-(pyridine-2-carbonylamino)cyclobutyl]amino]piperidine-1-carboxylate
CID 56910971
butyl 4-[(2-fluorobenzoyl)amino]piperidine-1-carboxylate
CID 108559345
butyl 4-[(4-phenylbenzoyl)amino]piperidine-1-carboxylate
CID 108559396
ethyl 4-oxo-4-[4-(pyridine-2-carbonylamino)piperidin-1-yl]butanoate
CID 108562777
N-(1-ethylpiperidin-4-yl)pyridine-2-carboxamide
CID 69401322
N-[1-[4-(4-methylphenoxy)butanoyl]piperidin-4-yl]pyridine-2-carboxamide
CID 108557848
N-[1-[2-(4-propylphenoxy)acetyl]piperidin-4-yl]pyridine-2-carboxamide
CID 108557843
butyl 4-[(2,5-dichlorobenzoyl)amino]piperidine-1-carboxylate
CID 108561579
N-(1-ethylsulfonylpiperidin-4-yl)pyridine-2-carboxamide
CID 47021102
butyl 4-[(3,4-dimethoxybenzoyl)amino]piperidine-1-carboxylate
CID 108559158

Frequently Asked Questions

What is the IUPAC name of butyl 4-(pyridine-2-carbonylamino)piperidine-1-carboxylate?
The IUPAC name of butyl 4-(pyridine-2-carbonylamino)piperidine-1-carboxylate (CID 108562788) is butyl 4-(pyridine-2-carbonylamino)piperidine-1-carboxylate.
What is the SMILES notation for butyl 4-(pyridine-2-carbonylamino)piperidine-1-carboxylate?
The canonical SMILES for butyl 4-(pyridine-2-carbonylamino)piperidine-1-carboxylate is CCCCOC(=O)N1CCC(NC(=O)c2ccccn2)CC1.
What is the InChIKey of butyl 4-(pyridine-2-carbonylamino)piperidine-1-carboxylate?
The InChIKey is JYQPRSUSADWDJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O3/c1-2-3-12-22-16(21)19-10-7-13(8-11-19)18-15(20)14-6-4-5-9-17-14/h4-6,9,13H,2-3,7-8,10-12H2,1H3,(H,18,20).
What are the key properties of butyl 4-(pyridine-2-carbonylamino)piperidine-1-carboxylate?
butyl 4-(pyridine-2-carbonylamino)piperidine-1-carboxylate has a molecular weight of 305.38 g/mol, XLogP of 2.21, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for butyl 4-(pyridine-2-carbonylamino)piperidine-1-carboxylate is sourced from PubChem (CID 108562788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).