2-methyl-N-prop-2-ynylpiperidine-3-carboxamide

C10H16N2O — CID 131048074

IUPAC2-methyl-N-prop-2-ynylpiperidine-3-carboxamide
SMILESC#CCNC(=O)C1CCCNC1C
InChIInChI=1S/C10H16N2O/c1-3-6-12-10(13)9-5-4-7-11-8(9)2/h1,8-9,11H,4-7H2,2H3,(H,12,13)
InChIKeyWSVIUSNXOSDSNC-UHFFFAOYSA-N
MW180.25 g/mol
LogP0.12
Rot. Bonds2

About 2-methyl-N-prop-2-ynylpiperidine-3-carboxamide

2-methyl-N-prop-2-ynylpiperidine-3-carboxamide (PubChem CID 131048074) has the molecular formula C10H16N2O and a molecular weight of 180.25 g/mol. Its IUPAC name is 2-methyl-N-prop-2-ynylpiperidine-3-carboxamide.

Molecular Properties

Compound Name2-methyl-N-prop-2-ynylpiperidine-3-carboxamide
PubChem CID131048074
Molecular FormulaC10H16N2O
Molecular Weight180.25 g/mol
Exact Mass180.13
IUPAC Name2-methyl-N-prop-2-ynylpiperidine-3-carboxamide
SMILESC#CCNC(=O)C1CCCNC1C
InChIInChI=1S/C10H16N2O/c1-3-6-12-10(13)9-5-4-7-11-8(9)2/h1,8-9,11H,4-7H2,2H3,(H,12,13)
InChIKeyWSVIUSNXOSDSNC-UHFFFAOYSA-N
XLogP0.12
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 50.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-but-2-ynyl-2-methylpiperidine-3-carboxamide
CID 127003919
(2R,3R)-N-(2-hydroxyethyl)-2-methylpiperidine-3-carboxamide
CID 130891391
2-(prop-2-ynylcarbamoyl)cyclopentane-1-carboxylic acid
CID 103977753
N-hydroxy-2-methylpiperidine-3-carboxamide
CID 130757003
N-[[1-(dimethylamino)cyclobutyl]methyl]-2-methylpiperidine-3-carboxamide
CID 105418341
N-(2-methoxy-2-methylpropyl)-2-methylpiperidine-3-carboxamide
CID 104761997
(2S,3S)-2-methyl-N-propan-2-ylpiperidine-3-carboxamide
CID 97050937
N-[3-(methanesulfonamido)propyl]-2-methylpiperidine-3-carboxamide
CID 114175575
2-methyl-N-prop-2-ynyloxolane-3-carboxamide
CID 79762562
2-methyl-N-(4-propan-2-yloxybutyl)piperidine-3-carboxamide
CID 114137522
2-methyl-N-pent-3-ynylpyrrolidine-3-carboxamide
CID 116644086
2-[(2-methylpyrrolidine-3-carbonyl)amino]acetic acid
CID 79388783

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-prop-2-ynylpiperidine-3-carboxamide?
The IUPAC name of 2-methyl-N-prop-2-ynylpiperidine-3-carboxamide (CID 131048074) is 2-methyl-N-prop-2-ynylpiperidine-3-carboxamide.
What is the SMILES notation for 2-methyl-N-prop-2-ynylpiperidine-3-carboxamide?
The canonical SMILES for 2-methyl-N-prop-2-ynylpiperidine-3-carboxamide is C#CCNC(=O)C1CCCNC1C.
What is the InChIKey of 2-methyl-N-prop-2-ynylpiperidine-3-carboxamide?
The InChIKey is WSVIUSNXOSDSNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O/c1-3-6-12-10(13)9-5-4-7-11-8(9)2/h1,8-9,11H,4-7H2,2H3,(H,12,13).
What are the key properties of 2-methyl-N-prop-2-ynylpiperidine-3-carboxamide?
2-methyl-N-prop-2-ynylpiperidine-3-carboxamide has a molecular weight of 180.25 g/mol, XLogP of 0.12, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-prop-2-ynylpiperidine-3-carboxamide is sourced from PubChem (CID 131048074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).