3-methyl-N-pent-3-ynylpiperidine-3-carboxamide

C12H20N2O — CID 116644144

IUPAC3-methyl-N-pent-3-ynylpiperidine-3-carboxamide
SMILESCC#CCCNC(=O)C1(C)CCCNC1
InChIInChI=1S/C12H20N2O/c1-3-4-5-9-14-11(15)12(2)7-6-8-13-10-12/h13H,5-10H2,1-2H3,(H,14,15)
InChIKeyXNQCNASYORLGEN-UHFFFAOYSA-N
MW208.30 g/mol
LogP0.91
Rot. Bonds3

About 3-methyl-N-pent-3-ynylpiperidine-3-carboxamide

3-methyl-N-pent-3-ynylpiperidine-3-carboxamide (PubChem CID 116644144) has the molecular formula C12H20N2O and a molecular weight of 208.30 g/mol. Its IUPAC name is 3-methyl-N-pent-3-ynylpiperidine-3-carboxamide.

Molecular Properties

Compound Name3-methyl-N-pent-3-ynylpiperidine-3-carboxamide
PubChem CID116644144
Molecular FormulaC12H20N2O
Molecular Weight208.30 g/mol
Exact Mass208.16
IUPAC Name3-methyl-N-pent-3-ynylpiperidine-3-carboxamide
SMILESCC#CCCNC(=O)C1(C)CCCNC1
InChIInChI=1S/C12H20N2O/c1-3-4-5-9-14-11(15)12(2)7-6-8-13-10-12/h13H,5-10H2,1-2H3,(H,14,15)
InChIKeyXNQCNASYORLGEN-UHFFFAOYSA-N
XLogP0.91
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N,N-Diethylpiperidine-3-carboxamide
CID 18793
5,5-Dimethylpiperidin-2-one
CID 10479660
3,3-Dimethylpiperidin-2-one
CID 11240485
3,3-Diethyl-2-piperidinone
CID 10329495
N,5-dimethylpiperidine-3-carboxamide
CID 65562846
N-butyl-2-oxopiperidine-3-carboxamide
CID 4141439
N-propylpiperidine-3-carboxamide
CID 18072274
N,N-dimethylpiperidine-3-carboxamide
CID 18760276
1-(2,2-Dimethylpropanoyl)-N-methyl-3-piperidinecarboxamide
CID 47406835
N-hexylpiperidine-3-carboxamide
CID 43589709
N-butylpiperidine-3-carboxamide hydrochloride
CID 47002616
N-ethylpiperidine-3-carboxamide hydrochloride
CID 53410852

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-pent-3-ynylpiperidine-3-carboxamide?
The IUPAC name of 3-methyl-N-pent-3-ynylpiperidine-3-carboxamide (CID 116644144) is 3-methyl-N-pent-3-ynylpiperidine-3-carboxamide.
What is the SMILES notation for 3-methyl-N-pent-3-ynylpiperidine-3-carboxamide?
The canonical SMILES for 3-methyl-N-pent-3-ynylpiperidine-3-carboxamide is CC#CCCNC(=O)C1(C)CCCNC1.
What is the InChIKey of 3-methyl-N-pent-3-ynylpiperidine-3-carboxamide?
The InChIKey is XNQCNASYORLGEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O/c1-3-4-5-9-14-11(15)12(2)7-6-8-13-10-12/h13H,5-10H2,1-2H3,(H,14,15).
What are the key properties of 3-methyl-N-pent-3-ynylpiperidine-3-carboxamide?
3-methyl-N-pent-3-ynylpiperidine-3-carboxamide has a molecular weight of 208.30 g/mol, XLogP of 0.91, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-pent-3-ynylpiperidine-3-carboxamide is sourced from PubChem (CID 116644144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).