6-methyl-1-pent-4-ynylpiperidine-3-carboxamide

C12H20N2O — CID 115873029

IUPAC6-methyl-1-pent-4-ynylpiperidine-3-carboxamide
SMILESC#CCCCN1CC(C(N)=O)CCC1C
InChIInChI=1S/C12H20N2O/c1-3-4-5-8-14-9-11(12(13)15)7-6-10(14)2/h1,10-11H,4-9H2,2H3,(H2,13,15)
InChIKeyKIBSYSFZHXUUNV-UHFFFAOYSA-N
MW208.30 g/mol
LogP0.99
Rot. Bonds4

About 6-methyl-1-pent-4-ynylpiperidine-3-carboxamide

6-methyl-1-pent-4-ynylpiperidine-3-carboxamide (PubChem CID 115873029) has the molecular formula C12H20N2O and a molecular weight of 208.30 g/mol. Its IUPAC name is 6-methyl-1-pent-4-ynylpiperidine-3-carboxamide.

Molecular Properties

Compound Name6-methyl-1-pent-4-ynylpiperidine-3-carboxamide
PubChem CID115873029
Molecular FormulaC12H20N2O
Molecular Weight208.30 g/mol
Exact Mass208.16
IUPAC Name6-methyl-1-pent-4-ynylpiperidine-3-carboxamide
SMILESC#CCCCN1CC(C(N)=O)CCC1C
InChIInChI=1S/C12H20N2O/c1-3-4-5-8-14-9-11(12(13)15)7-6-10(14)2/h1,10-11H,4-9H2,2H3,(H2,13,15)
InChIKeyKIBSYSFZHXUUNV-UHFFFAOYSA-N
XLogP0.99
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 50.99
H-Bond Donors ≤ 51
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-butyl-6-methylpiperidine-3-carboxamide
CID 24693888
6-Methyl-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 167987470
1-(4-Amino-1,1,1-trifluorobutan-2-yl)-6-methylpiperidine-3-carboxamide
CID 54989027
1-[2-(Aminomethyl)-3,3,3-trifluoropropyl]-6-methylpiperidine-3-carboxamide
CID 113807339
1-Propan-2-ylpiperidine-3-carboxamide
CID 22939836
(3R)-1-propan-2-ylpiperidine-3-carboxamide
CID 58431105
(3S)-1-propan-2-ylpiperidine-3-carboxamide
CID 58431257
1-Acetyl-6-methyl-piperidine-3-carboxamide
CID 61693699
6-Methyl-1-(3-oxopropyl)piperidine-3-carboxamide
CID 63039026
(3R,6R)-1-tert-butyl-6-methylpiperidine-3-carboxamide
CID 66769662
(3S,6R)-1-tert-butyl-6-methylpiperidine-3-carboxamide
CID 66769867
1,2-Diethylpiperidine-3-carboxamide
CID 67376408

Frequently Asked Questions

What is the IUPAC name of 6-methyl-1-pent-4-ynylpiperidine-3-carboxamide?
The IUPAC name of 6-methyl-1-pent-4-ynylpiperidine-3-carboxamide (CID 115873029) is 6-methyl-1-pent-4-ynylpiperidine-3-carboxamide.
What is the SMILES notation for 6-methyl-1-pent-4-ynylpiperidine-3-carboxamide?
The canonical SMILES for 6-methyl-1-pent-4-ynylpiperidine-3-carboxamide is C#CCCCN1CC(C(N)=O)CCC1C.
What is the InChIKey of 6-methyl-1-pent-4-ynylpiperidine-3-carboxamide?
The InChIKey is KIBSYSFZHXUUNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O/c1-3-4-5-8-14-9-11(12(13)15)7-6-10(14)2/h1,10-11H,4-9H2,2H3,(H2,13,15).
What are the key properties of 6-methyl-1-pent-4-ynylpiperidine-3-carboxamide?
6-methyl-1-pent-4-ynylpiperidine-3-carboxamide has a molecular weight of 208.30 g/mol, XLogP of 0.99, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-1-pent-4-ynylpiperidine-3-carboxamide is sourced from PubChem (CID 115873029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).