3-methyl-N-prop-2-ynylpiperidine-1-carboxamide

C10H16N2O — CID 112722495

IUPAC3-methyl-N-prop-2-ynylpiperidine-1-carboxamide
SMILESC#CCNC(=O)N1CCCC(C)C1
InChIInChI=1S/C10H16N2O/c1-3-6-11-10(13)12-7-4-5-9(2)8-12/h1,9H,4-8H2,2H3,(H,11,13)
InChIKeyWGIYWETUQHRHBH-UHFFFAOYSA-N
MW180.25 g/mol
LogP1.06
Rot. Bonds1

About 3-methyl-N-prop-2-ynylpiperidine-1-carboxamide

3-methyl-N-prop-2-ynylpiperidine-1-carboxamide (PubChem CID 112722495) has the molecular formula C10H16N2O and a molecular weight of 180.25 g/mol. Its IUPAC name is 3-methyl-N-prop-2-ynylpiperidine-1-carboxamide.

Molecular Properties

Compound Name3-methyl-N-prop-2-ynylpiperidine-1-carboxamide
PubChem CID112722495
Molecular FormulaC10H16N2O
Molecular Weight180.25 g/mol
Exact Mass180.13
IUPAC Name3-methyl-N-prop-2-ynylpiperidine-1-carboxamide
SMILESC#CCNC(=O)N1CCCC(C)C1
InChIInChI=1S/C10H16N2O/c1-3-6-11-10(13)12-7-4-5-9(2)8-12/h1,9H,4-8H2,2H3,(H,11,13)
InChIKeyWGIYWETUQHRHBH-UHFFFAOYSA-N
XLogP1.06
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-prop-2-ynylpyrrolidine-1-carboxamide
CID 112722494
N-ethyl-3-methylpiperidine-1-carboxamide
CID 89048200
3-(1,3-dioxolan-2-yl)-N-prop-2-ynylpiperidine-1-carboxamide
CID 56553598
N-[(1-hydroxycyclopentyl)methyl]-3-methylpiperidine-1-carboxamide
CID 79159286
3-methyl-N-prop-2-enylpiperidine-1-carboxamide
CID 108987828
tert-butyl N-[(3S)-1-(prop-2-ynylcarbamoyl)piperidin-3-yl]carbamate
CID 94193162
2-methyl-N-prop-2-ynylpyrrolidine-1-carboxamide
CID 130614788
3-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]piperidine-1-carboxamide
CID 116654402
4-[[(3-methylpiperidine-1-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid
CID 79525817
N-(4-amino-4-oxobutyl)-3-methylpiperidine-1-carboxamide
CID 115584144
3-methyl-N-prop-2-ynylpyrrolidine-1-carbothioamide
CID 130659116
N-(2,3-dihydroxy-2-methylpropyl)-3-methylpiperidine-1-carboxamide
CID 79160357

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-prop-2-ynylpiperidine-1-carboxamide?
The IUPAC name of 3-methyl-N-prop-2-ynylpiperidine-1-carboxamide (CID 112722495) is 3-methyl-N-prop-2-ynylpiperidine-1-carboxamide.
What is the SMILES notation for 3-methyl-N-prop-2-ynylpiperidine-1-carboxamide?
The canonical SMILES for 3-methyl-N-prop-2-ynylpiperidine-1-carboxamide is C#CCNC(=O)N1CCCC(C)C1.
What is the InChIKey of 3-methyl-N-prop-2-ynylpiperidine-1-carboxamide?
The InChIKey is WGIYWETUQHRHBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O/c1-3-6-11-10(13)12-7-4-5-9(2)8-12/h1,9H,4-8H2,2H3,(H,11,13).
What are the key properties of 3-methyl-N-prop-2-ynylpiperidine-1-carboxamide?
3-methyl-N-prop-2-ynylpiperidine-1-carboxamide has a molecular weight of 180.25 g/mol, XLogP of 1.06, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-prop-2-ynylpiperidine-1-carboxamide is sourced from PubChem (CID 112722495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).