methyl 5-piperidin-1-ylpent-2-ynoate

C11H17NO2 — CID 117265692

IUPACmethyl 5-piperidin-1-ylpent-2-ynoate
SMILESCOC(=O)C#CCCN1CCCCC1
InChIInChI=1S/C11H17NO2/c1-14-11(13)7-3-6-10-12-8-4-2-5-9-12/h2,4-6,8-10H2,1H3
InChIKeyXSNHOHKRNSESKY-UHFFFAOYSA-N
MW195.26 g/mol
LogP1.04
Rot. Bonds2

About methyl 5-piperidin-1-ylpent-2-ynoate

methyl 5-piperidin-1-ylpent-2-ynoate (PubChem CID 117265692) has the molecular formula C11H17NO2 and a molecular weight of 195.26 g/mol. Its IUPAC name is methyl 5-piperidin-1-ylpent-2-ynoate.

Molecular Properties

Compound Namemethyl 5-piperidin-1-ylpent-2-ynoate
PubChem CID117265692
Molecular FormulaC11H17NO2
Molecular Weight195.26 g/mol
Exact Mass195.13
IUPAC Namemethyl 5-piperidin-1-ylpent-2-ynoate
SMILESCOC(=O)C#CCCN1CCCCC1
InChIInChI=1S/C11H17NO2/c1-14-11(13)7-3-6-10-12-8-4-2-5-9-12/h2,4-6,8-10H2,1H3
InChIKeyXSNHOHKRNSESKY-UHFFFAOYSA-N
XLogP1.04
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.26
LogP ≤ 51.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_5', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

N-methyl-5-piperidin-1-ylpent-2-yn-1-amine
CID 117265206
5-piperidin-1-ylpent-2-yn-1-ol
CID 117265439
CID 91986678
CID 91986678
methyl 3-piperidin-1-ylpropanoate;hydrochloride
CID 22077061
methyl 4-(azocan-1-yl)butanoate
CID 43377737
methyl 4-(1-methylpiperidin-4-yl)but-2-ynoate
CID 117265600
N-(2-piperidin-1-ylethoxy)acetamide
CID 110642863
N-methyl-5-morpholin-4-ylpent-2-ynamide
CID 89242770
methyl 4-[(1-methylpiperidin-4-yl)amino]but-2-ynoate
CID 115026946
methyl 2-oxo-2-(2-piperidin-1-ylethylamino)acetate
CID 112616960
methyl N-(4-piperidin-1-ylbutyl)carbamate
CID 97356284
2-methoxyacetic acid;1-(3-methoxypropyl)piperidine
CID 174749833

Frequently Asked Questions

What is the IUPAC name of methyl 5-piperidin-1-ylpent-2-ynoate?
The IUPAC name of methyl 5-piperidin-1-ylpent-2-ynoate (CID 117265692) is methyl 5-piperidin-1-ylpent-2-ynoate.
What is the SMILES notation for methyl 5-piperidin-1-ylpent-2-ynoate?
The canonical SMILES for methyl 5-piperidin-1-ylpent-2-ynoate is COC(=O)C#CCCN1CCCCC1.
What is the InChIKey of methyl 5-piperidin-1-ylpent-2-ynoate?
The InChIKey is XSNHOHKRNSESKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO2/c1-14-11(13)7-3-6-10-12-8-4-2-5-9-12/h2,4-6,8-10H2,1H3.
What are the key properties of methyl 5-piperidin-1-ylpent-2-ynoate?
methyl 5-piperidin-1-ylpent-2-ynoate has a molecular weight of 195.26 g/mol, XLogP of 1.04, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-piperidin-1-ylpent-2-ynoate is sourced from PubChem (CID 117265692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).