3,3-dimethyl-N-pent-4-ynylpiperidine-2-carboxamide

C13H22N2O — CID 106221816

IUPAC3,3-dimethyl-N-pent-4-ynylpiperidine-2-carboxamide
SMILESC#CCCCNC(=O)C1NCCCC1(C)C
InChIInChI=1S/C13H22N2O/c1-4-5-6-9-15-12(16)11-13(2,3)8-7-10-14-11/h1,11,14H,5-10H2,2-3H3,(H,15,16)
InChIKeyAZZLYCKRDPCMOS-UHFFFAOYSA-N
MW222.33 g/mol
LogP1.29
Rot. Bonds4

About 3,3-dimethyl-N-pent-4-ynylpiperidine-2-carboxamide

3,3-dimethyl-N-pent-4-ynylpiperidine-2-carboxamide (PubChem CID 106221816) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is 3,3-dimethyl-N-pent-4-ynylpiperidine-2-carboxamide.

Molecular Properties

Compound Name3,3-dimethyl-N-pent-4-ynylpiperidine-2-carboxamide
PubChem CID106221816
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC Name3,3-dimethyl-N-pent-4-ynylpiperidine-2-carboxamide
SMILESC#CCCCNC(=O)C1NCCCC1(C)C
InChIInChI=1S/C13H22N2O/c1-4-5-6-9-15-12(16)11-13(2,3)8-7-10-14-11/h1,11,14H,5-10H2,2-3H3,(H,15,16)
InChIKeyAZZLYCKRDPCMOS-UHFFFAOYSA-N
XLogP1.29
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 51.29
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-(3-cyclopropylpropyl)-3,3-dimethylpiperidine-2-carboxamide
CID 114084316
N-(5-amino-5-oxopentyl)-3,3-dimethylpiperidine-2-carboxamide
CID 114162096
3,3-dimethyl-N-(3-methylsulfanylbutyl)piperidine-2-carboxamide
CID 114084303
3,3-dimethyl-N-[2-(2-methylpropoxy)ethyl]piperidine-2-carboxamide
CID 114084318
N-[(1-methoxycyclobutyl)methyl]-3,3-dimethylpiperidine-2-carboxamide
CID 114119268
(2S)-3,3-dimethylpiperidine-2-carboxylic acid
CID 93492996
3,3-dimethyl-N-(2-methylcyclohexyl)piperidine-2-carboxamide
CID 114083995
N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-3,3-dimethylpiperidine-2-carboxamide
CID 114084217
3,3-dimethyl-N-[(1-methylpyrrol-3-yl)methyl]piperidine-2-carboxamide
CID 106390878
N-hex-5-ynylcyclopropanecarboxamide
CID 103758008
4-(pent-4-ynylcarbamoyl)cyclohexane-1-carboxylic acid
CID 106223186
N-hex-5-ynyl-1-methylcyclohexane-1-carboxamide
CID 105056307

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-N-pent-4-ynylpiperidine-2-carboxamide?
The IUPAC name of 3,3-dimethyl-N-pent-4-ynylpiperidine-2-carboxamide (CID 106221816) is 3,3-dimethyl-N-pent-4-ynylpiperidine-2-carboxamide.
What is the SMILES notation for 3,3-dimethyl-N-pent-4-ynylpiperidine-2-carboxamide?
The canonical SMILES for 3,3-dimethyl-N-pent-4-ynylpiperidine-2-carboxamide is C#CCCCNC(=O)C1NCCCC1(C)C.
What is the InChIKey of 3,3-dimethyl-N-pent-4-ynylpiperidine-2-carboxamide?
The InChIKey is AZZLYCKRDPCMOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O/c1-4-5-6-9-15-12(16)11-13(2,3)8-7-10-14-11/h1,11,14H,5-10H2,2-3H3,(H,15,16).
What are the key properties of 3,3-dimethyl-N-pent-4-ynylpiperidine-2-carboxamide?
3,3-dimethyl-N-pent-4-ynylpiperidine-2-carboxamide has a molecular weight of 222.33 g/mol, XLogP of 1.29, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-N-pent-4-ynylpiperidine-2-carboxamide is sourced from PubChem (CID 106221816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).