2-piperidin-4-yl-N-prop-2-ynylacetamide

C10H16N2O — CID 61028682

IUPAC2-piperidin-4-yl-N-prop-2-ynylacetamide
SMILESC#CCNC(=O)CC1CCNCC1
InChIInChI=1S/C10H16N2O/c1-2-5-12-10(13)8-9-3-6-11-7-4-9/h1,9,11H,3-8H2,(H,12,13)
InChIKeyXNJWIIWCEYSGPW-UHFFFAOYSA-N
MW180.25 g/mol
LogP0.13
Rot. Bonds3

About 2-piperidin-4-yl-N-prop-2-ynylacetamide

2-piperidin-4-yl-N-prop-2-ynylacetamide (PubChem CID 61028682) has the molecular formula C10H16N2O and a molecular weight of 180.25 g/mol. Its IUPAC name is 2-piperidin-4-yl-N-prop-2-ynylacetamide.

Molecular Properties

Compound Name2-piperidin-4-yl-N-prop-2-ynylacetamide
PubChem CID61028682
Molecular FormulaC10H16N2O
Molecular Weight180.25 g/mol
Exact Mass180.13
IUPAC Name2-piperidin-4-yl-N-prop-2-ynylacetamide
SMILESC#CCNC(=O)CC1CCNCC1
InChIInChI=1S/C10H16N2O/c1-2-5-12-10(13)8-9-3-6-11-7-4-9/h1,9,11H,3-8H2,(H,12,13)
InChIKeyXNJWIIWCEYSGPW-UHFFFAOYSA-N
XLogP0.13
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 50.13
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

2-piperidin-4-yl-N-(2-prop-2-ynylsulfanylethyl)acetamide
CID 106427974
1-piperidin-4-ylpent-4-yn-2-one
CID 116559802
2-cycloheptyl-N-(piperidin-4-ylmethyl)acetamide
CID 115736681
N-methylsulfanyl-2-piperidin-4-ylacetamide
CID 145013243
tert-butyl 4-[2-oxo-2-(prop-2-ynylamino)ethyl]piperidine-1-carboxylate
CID 47451409
N-[(2S)-2-methylsulfanylpropyl]-2-piperidin-4-ylacetamide
CID 99596160
3-[(2-piperidin-4-ylacetyl)amino]-N-propan-2-ylpropanamide
CID 113266104
N,2,2-trimethyl-3-[(2-piperidin-4-ylacetyl)amino]propanamide
CID 106277030
N-[(1-methylcyclohexyl)methyl]-2-piperidin-4-ylacetamide
CID 113267305
N-(2-oxo-2-piperidin-1-ylethyl)-2-piperidin-4-ylacetamide
CID 112701646
N-[(1-methylpyrrolidin-3-yl)methyl]-2-piperidin-4-ylacetamide
CID 60855593
2-[[(2-piperidin-4-ylacetyl)amino]methyl]butanoic acid
CID 65224540

Frequently Asked Questions

What is the IUPAC name of 2-piperidin-4-yl-N-prop-2-ynylacetamide?
The IUPAC name of 2-piperidin-4-yl-N-prop-2-ynylacetamide (CID 61028682) is 2-piperidin-4-yl-N-prop-2-ynylacetamide.
What is the SMILES notation for 2-piperidin-4-yl-N-prop-2-ynylacetamide?
The canonical SMILES for 2-piperidin-4-yl-N-prop-2-ynylacetamide is C#CCNC(=O)CC1CCNCC1.
What is the InChIKey of 2-piperidin-4-yl-N-prop-2-ynylacetamide?
The InChIKey is XNJWIIWCEYSGPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O/c1-2-5-12-10(13)8-9-3-6-11-7-4-9/h1,9,11H,3-8H2,(H,12,13).
What are the key properties of 2-piperidin-4-yl-N-prop-2-ynylacetamide?
2-piperidin-4-yl-N-prop-2-ynylacetamide has a molecular weight of 180.25 g/mol, XLogP of 0.13, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperidin-4-yl-N-prop-2-ynylacetamide is sourced from PubChem (CID 61028682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).