N-(4-azidobutyl)piperidine-1-carboxamide

C10H19N5O — CID 106386926

IUPACN-(4-azidobutyl)piperidine-1-carboxamide
SMILES[N-]=[N+]=NCCCCNC(=O)N1CCCCC1
InChIInChI=1S/C10H19N5O/c11-14-13-7-3-2-6-12-10(16)15-8-4-1-5-9-15/h1-9H2,(H,12,16)
InChIKeyHZEKCWCZVUVDEW-UHFFFAOYSA-N
MW225.30 g/mol
LogP2.27
Rot. Bonds5

About N-(4-azidobutyl)piperidine-1-carboxamide

N-(4-azidobutyl)piperidine-1-carboxamide (PubChem CID 106386926) has the molecular formula C10H19N5O and a molecular weight of 225.30 g/mol. Its IUPAC name is N-(4-azidobutyl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-(4-azidobutyl)piperidine-1-carboxamide
PubChem CID106386926
Molecular FormulaC10H19N5O
Molecular Weight225.30 g/mol
Exact Mass225.16
IUPAC NameN-(4-azidobutyl)piperidine-1-carboxamide
SMILES[N-]=[N+]=NCCCCNC(=O)N1CCCCC1
InChIInChI=1S/C10H19N5O/c11-14-13-7-3-2-6-12-10(16)15-8-4-1-5-9-15/h1-9H2,(H,12,16)
InChIKeyHZEKCWCZVUVDEW-UHFFFAOYSA-N
XLogP2.27
TPSA81.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.30
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

N-(2-azidoethyl)piperidine-1-carboxamide
CID 79155293
N-(6-hydroxyhexyl)piperidine-1-carboxamide
CID 103918692
N-(3-hydroxypropyl)piperidine-1-carboxamide
CID 112725647
N-[6-(aziridine-1-carbonylamino)hexyl]aziridine-1-carboxamide
CID 16758
methyl 6-(azepane-1-carbonylamino)hexanoate
CID 113224252
N-(2-fluoroethyl)piperidine-1-carboxamide
CID 126973652
N-[3-(cyclopropylamino)propyl]azepane-1-carboxamide
CID 79152117
N-[(piperidine-1-carbonylamino)methyl]piperidine-1-carboxamide
CID 59031008
N-(2-acetamidoethyl)piperidine-1-carboxamide
CID 115575266
N-(3-oxo-3-piperidin-1-ylpropyl)pyrrolidine-1-carboxamide
CID 115583806
N-[4-(dithiolan-3-yl)butyl]piperidine-1-carboxamide
CID 18358051
N-(3-oxo-3-pyrrolidin-1-ylpropyl)pyrrolidine-1-carboxamide
CID 113221674

Frequently Asked Questions

What is the IUPAC name of N-(4-azidobutyl)piperidine-1-carboxamide?
The IUPAC name of N-(4-azidobutyl)piperidine-1-carboxamide (CID 106386926) is N-(4-azidobutyl)piperidine-1-carboxamide.
What is the SMILES notation for N-(4-azidobutyl)piperidine-1-carboxamide?
The canonical SMILES for N-(4-azidobutyl)piperidine-1-carboxamide is [N-]=[N+]=NCCCCNC(=O)N1CCCCC1.
What is the InChIKey of N-(4-azidobutyl)piperidine-1-carboxamide?
The InChIKey is HZEKCWCZVUVDEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N5O/c11-14-13-7-3-2-6-12-10(16)15-8-4-1-5-9-15/h1-9H2,(H,12,16).
What are the key properties of N-(4-azidobutyl)piperidine-1-carboxamide?
N-(4-azidobutyl)piperidine-1-carboxamide has a molecular weight of 225.30 g/mol, XLogP of 2.27, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-azidobutyl)piperidine-1-carboxamide is sourced from PubChem (CID 106386926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).