1-methyl-N-[4-(2-methylphenoxy)but-2-ynyl]piperidine-3-carboxamide

C18H24N2O2 — CID 90575138

IUPAC1-methyl-N-[4-(2-methylphenoxy)but-2-ynyl]piperidine-3-carboxamide
SMILESCc1ccccc1OCC#CCNC(=O)C1CCCN(C)C1
InChIInChI=1S/C18H24N2O2/c1-15-8-3-4-10-17(15)22-13-6-5-11-19-18(21)16-9-7-12-20(2)14-16/h3-4,8,10,16H,7,9,11-14H2,1-2H3,(H,19,21)
InChIKeyXLFLMBCGXUGWDZ-UHFFFAOYSA-N
MW300.40 g/mol
LogP1.84
Rot. Bonds4

About 1-methyl-N-[4-(2-methylphenoxy)but-2-ynyl]piperidine-3-carboxamide

1-methyl-N-[4-(2-methylphenoxy)but-2-ynyl]piperidine-3-carboxamide (PubChem CID 90575138) has the molecular formula C18H24N2O2 and a molecular weight of 300.40 g/mol. Its IUPAC name is 1-methyl-N-[4-(2-methylphenoxy)but-2-ynyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-methyl-N-[4-(2-methylphenoxy)but-2-ynyl]piperidine-3-carboxamide
PubChem CID90575138
Molecular FormulaC18H24N2O2
Molecular Weight300.40 g/mol
Exact Mass300.18
IUPAC Name1-methyl-N-[4-(2-methylphenoxy)but-2-ynyl]piperidine-3-carboxamide
SMILESCc1ccccc1OCC#CCNC(=O)C1CCCN(C)C1
InChIInChI=1S/C18H24N2O2/c1-15-8-3-4-10-17(15)22-13-6-5-11-19-18(21)16-9-7-12-20(2)14-16/h3-4,8,10,16H,7,9,11-14H2,1-2H3,(H,19,21)
InChIKeyXLFLMBCGXUGWDZ-UHFFFAOYSA-N
XLogP1.84
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(2-carbamoylphenoxy)but-2-ynyl]-1-methylpiperidine-3-carboxamide
CID 71803227
1-methyl-N-[4-[(6-methyl-3-pyridinyl)oxy]but-2-ynyl]piperidine-3-carboxamide
CID 90579233
N-(4-naphthalen-1-yloxybut-2-ynyl)cyclopentanecarboxamide
CID 90578043
1-cyclohexyl-3-[4-(2-methylphenoxy)but-2-ynyl]urea
CID 90575360
N-(4-naphthalen-1-yloxybut-2-ynyl)cyclobutanecarboxamide
CID 90578198
1-methyl-N-[2-[(2-methylphenyl)methylsulfanyl]ethyl]piperidine-3-carboxamide
CID 132650320
N-[4-(2-prop-2-enylphenoxy)but-2-ynyl]cyclopentanecarboxamide
CID 90576829
N-[2-(2-methylphenoxy)ethyl]cyclobutanecarboxamide
CID 113099100
N'-[2-(2-methylphenoxy)acetyl]cyclobutanecarbohydrazide
CID 8696588
(3R)-N-[(3,4-diethoxyphenyl)methyl]-1-methylpiperidine-3-carboxamide
CID 95396834
(3S)-1-(4-methoxyphenyl)sulfonyl-N-[2-(2-methylphenoxy)ethyl]piperidine-3-carboxamide
CID 98879211
3-amino-N-[2-(2-methylphenoxy)ethyl]cyclohexane-1-carboxamide
CID 119742923

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[4-(2-methylphenoxy)but-2-ynyl]piperidine-3-carboxamide?
The IUPAC name of 1-methyl-N-[4-(2-methylphenoxy)but-2-ynyl]piperidine-3-carboxamide (CID 90575138) is 1-methyl-N-[4-(2-methylphenoxy)but-2-ynyl]piperidine-3-carboxamide.
What is the SMILES notation for 1-methyl-N-[4-(2-methylphenoxy)but-2-ynyl]piperidine-3-carboxamide?
The canonical SMILES for 1-methyl-N-[4-(2-methylphenoxy)but-2-ynyl]piperidine-3-carboxamide is Cc1ccccc1OCC#CCNC(=O)C1CCCN(C)C1.
What is the InChIKey of 1-methyl-N-[4-(2-methylphenoxy)but-2-ynyl]piperidine-3-carboxamide?
The InChIKey is XLFLMBCGXUGWDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O2/c1-15-8-3-4-10-17(15)22-13-6-5-11-19-18(21)16-9-7-12-20(2)14-16/h3-4,8,10,16H,7,9,11-14H2,1-2H3,(H,19,21).
What are the key properties of 1-methyl-N-[4-(2-methylphenoxy)but-2-ynyl]piperidine-3-carboxamide?
1-methyl-N-[4-(2-methylphenoxy)but-2-ynyl]piperidine-3-carboxamide has a molecular weight of 300.40 g/mol, XLogP of 1.84, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[4-(2-methylphenoxy)but-2-ynyl]piperidine-3-carboxamide is sourced from PubChem (CID 90575138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).