N-methyl-N-[1-(2-pyridin-2-ylethyl)piperidin-4-yl]but-2-ynamide

C17H23N3O — CID 146091210

IUPACN-methyl-N-[1-(2-pyridin-2-ylethyl)piperidin-4-yl]but-2-ynamide
SMILESCC#CC(=O)N(C)C1CCN(CCc2ccccn2)CC1
InChIInChI=1S/C17H23N3O/c1-3-6-17(21)19(2)16-9-13-20(14-10-16)12-8-15-7-4-5-11-18-15/h4-5,7,11,16H,8-10,12-14H2,1-2H3
InChIKeySZKMXADRMVTLIU-UHFFFAOYSA-N
MW285.39 g/mol
LogP1.57
Rot. Bonds4

About N-methyl-N-[1-(2-pyridin-2-ylethyl)piperidin-4-yl]but-2-ynamide

N-methyl-N-[1-(2-pyridin-2-ylethyl)piperidin-4-yl]but-2-ynamide (PubChem CID 146091210) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is N-methyl-N-[1-(2-pyridin-2-ylethyl)piperidin-4-yl]but-2-ynamide.

Molecular Properties

Compound NameN-methyl-N-[1-(2-pyridin-2-ylethyl)piperidin-4-yl]but-2-ynamide
PubChem CID146091210
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC NameN-methyl-N-[1-(2-pyridin-2-ylethyl)piperidin-4-yl]but-2-ynamide
SMILESCC#CC(=O)N(C)C1CCN(CCc2ccccn2)CC1
InChIInChI=1S/C17H23N3O/c1-3-6-17(21)19(2)16-9-13-20(14-10-16)12-8-15-7-4-5-11-18-15/h4-5,7,11,16H,8-10,12-14H2,1-2H3
InChIKeySZKMXADRMVTLIU-UHFFFAOYSA-N
XLogP1.57
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-amino-N-methyl-N-[1-(2-pyridin-2-ylethyl)piperidin-4-yl]butanamide
CID 119868618
3-amino-N-methyl-N-[1-(2-pyridin-2-ylethyl)piperidin-4-yl]benzamide;dihydrochloride
CID 119868605
3-amino-N-methyl-N-[1-(2-pyridin-2-ylethyl)piperidin-4-yl]cyclopentane-1-carboxamide
CID 119868586
N-methyl-N-[1-(2-pyridin-2-ylethyl)piperidin-4-yl]-2-pyrrolidin-2-ylacetamide;dihydrochloride
CID 119868611
N-methyl-4-oxo-N-[1-(2-pyridin-2-ylethyl)piperidin-4-yl]-1H-pyridine-2-carboxamide
CID 138025288
3-amino-N-methyl-N-[1-(2-pyridin-2-ylethyl)piperidin-4-yl]cyclopentane-1-carboxamide;dihydrochloride
CID 119868585
N-methyl-4-nitro-N-[1-(2-pyridin-2-ylethyl)piperidin-4-yl]benzamide
CID 60609216
3-amino-N-methyl-N-[1-(2-pyridin-2-ylethyl)piperidin-4-yl]cyclohexane-1-carboxamide;dihydrochloride
CID 119868587
(1S)-N-methyl-N-[1-(2-pyridin-2-ylethyl)piperidin-4-yl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 52510919
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-methyl-N-[1-(2-pyridin-2-ylethyl)piperidin-4-yl]acetamide;dihydrochloride
CID 119868601
N-benzyl-N-methyl-1-(2-pyridin-2-ylethyl)piperidin-4-amine
CID 171910751
tert-butyl N-methyl-N-[1-(2-pyridin-2-ylethyl)pyrrolidin-3-yl]carbamate
CID 71977139

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[1-(2-pyridin-2-ylethyl)piperidin-4-yl]but-2-ynamide?
The IUPAC name of N-methyl-N-[1-(2-pyridin-2-ylethyl)piperidin-4-yl]but-2-ynamide (CID 146091210) is N-methyl-N-[1-(2-pyridin-2-ylethyl)piperidin-4-yl]but-2-ynamide.
What is the SMILES notation for N-methyl-N-[1-(2-pyridin-2-ylethyl)piperidin-4-yl]but-2-ynamide?
The canonical SMILES for N-methyl-N-[1-(2-pyridin-2-ylethyl)piperidin-4-yl]but-2-ynamide is CC#CC(=O)N(C)C1CCN(CCc2ccccn2)CC1.
What is the InChIKey of N-methyl-N-[1-(2-pyridin-2-ylethyl)piperidin-4-yl]but-2-ynamide?
The InChIKey is SZKMXADRMVTLIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O/c1-3-6-17(21)19(2)16-9-13-20(14-10-16)12-8-15-7-4-5-11-18-15/h4-5,7,11,16H,8-10,12-14H2,1-2H3.
What are the key properties of N-methyl-N-[1-(2-pyridin-2-ylethyl)piperidin-4-yl]but-2-ynamide?
N-methyl-N-[1-(2-pyridin-2-ylethyl)piperidin-4-yl]but-2-ynamide has a molecular weight of 285.39 g/mol, XLogP of 1.57, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[1-(2-pyridin-2-ylethyl)piperidin-4-yl]but-2-ynamide is sourced from PubChem (CID 146091210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).