N-oct-7-ynylidenepiperidine-3-carboxamide

C14H22N2O — CID 172560611

IUPACN-oct-7-ynylidenepiperidine-3-carboxamide
SMILESC#CCCCCC/C=N/C(=O)C1CCCNC1
InChIInChI=1S/C14H22N2O/c1-2-3-4-5-6-7-11-16-14(17)13-9-8-10-15-12-13/h1,11,13,15H,3-10,12H2/b16-11+
InChIKeyBPXGLFJXMLQKBU-LFIBNONCSA-N
MW234.34 g/mol
LogP2.17
Rot. Bonds6

About N-oct-7-ynylidenepiperidine-3-carboxamide

N-oct-7-ynylidenepiperidine-3-carboxamide (PubChem CID 172560611) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is N-oct-7-ynylidenepiperidine-3-carboxamide.

Molecular Properties

Compound NameN-oct-7-ynylidenepiperidine-3-carboxamide
PubChem CID172560611
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC NameN-oct-7-ynylidenepiperidine-3-carboxamide
SMILESC#CCCCCC/C=N/C(=O)C1CCCNC1
InChIInChI=1S/C14H22N2O/c1-2-3-4-5-6-7-11-16-14(17)13-9-8-10-15-12-13/h1,11,13,15H,3-10,12H2/b16-11+
InChIKeyBPXGLFJXMLQKBU-LFIBNONCSA-N
XLogP2.17
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze N-oct-7-ynylidenepiperidine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3S)-N-hex-5-ynylpiperidine-3-carboxamide
CID 106213073
1-piperidin-3-yloct-7-en-1-one
CID 107010785
1-piperidin-3-ylnonan-1-one
CID 116547942
N-hex-5-ynylpyrrolidine-3-carboxamide
CID 106213094
di(piperidin-3-yl)methanone
CID 69183047
cyclobutyl-[(3R)-piperidin-3-yl]methanone
CID 124604189
(3R)-N-[(1-hydroxycyclobutyl)methyl]piperidine-3-carboxamide
CID 104874196
ethene;piperidine-3-carboxamide
CID 91354072
1-cyclohexylhex-5-yn-1-one
CID 10354296
N-(2-oxopropyl)piperidine-3-carboxamide
CID 83629204
4-methyl-1-piperidin-3-ylpent-4-en-1-one
CID 114477848
cyclopentyl piperidine-3-carboxylate
CID 61278605

Frequently Asked Questions

What is the IUPAC name of N-oct-7-ynylidenepiperidine-3-carboxamide?
The IUPAC name of N-oct-7-ynylidenepiperidine-3-carboxamide (CID 172560611) is N-oct-7-ynylidenepiperidine-3-carboxamide.
What is the SMILES notation for N-oct-7-ynylidenepiperidine-3-carboxamide?
The canonical SMILES for N-oct-7-ynylidenepiperidine-3-carboxamide is C#CCCCCC/C=N/C(=O)C1CCCNC1.
What is the InChIKey of N-oct-7-ynylidenepiperidine-3-carboxamide?
The InChIKey is BPXGLFJXMLQKBU-LFIBNONCSA-N. The full InChI is InChI=1S/C14H22N2O/c1-2-3-4-5-6-7-11-16-14(17)13-9-8-10-15-12-13/h1,11,13,15H,3-10,12H2/b16-11+.
What are the key properties of N-oct-7-ynylidenepiperidine-3-carboxamide?
N-oct-7-ynylidenepiperidine-3-carboxamide has a molecular weight of 234.34 g/mol, XLogP of 2.17, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-oct-7-ynylidenepiperidine-3-carboxamide is sourced from PubChem (CID 172560611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).