butyl 2-(3-piperidin-1-ylpyrrolidin-1-yl)acetate

C15H28N2O2 — CID 55159559

IUPACbutyl 2-(3-piperidin-1-ylpyrrolidin-1-yl)acetate
SMILESCCCCOC(=O)CN1CCC(N2CCCCC2)C1
InChIInChI=1S/C15H28N2O2/c1-2-3-11-19-15(18)13-16-10-7-14(12-16)17-8-5-4-6-9-17/h14H,2-13H2,1H3
InChIKeyIZNFQPNXNUYTNA-UHFFFAOYSA-N
MW268.40 g/mol
LogP1.89
Rot. Bonds6

About butyl 2-(3-piperidin-1-ylpyrrolidin-1-yl)acetate

butyl 2-(3-piperidin-1-ylpyrrolidin-1-yl)acetate (PubChem CID 55159559) has the molecular formula C15H28N2O2 and a molecular weight of 268.40 g/mol. Its IUPAC name is butyl 2-(3-piperidin-1-ylpyrrolidin-1-yl)acetate.

Molecular Properties

Compound Namebutyl 2-(3-piperidin-1-ylpyrrolidin-1-yl)acetate
PubChem CID55159559
Molecular FormulaC15H28N2O2
Molecular Weight268.40 g/mol
Exact Mass268.22
IUPAC Namebutyl 2-(3-piperidin-1-ylpyrrolidin-1-yl)acetate
SMILESCCCCOC(=O)CN1CCC(N2CCCCC2)C1
InChIInChI=1S/C15H28N2O2/c1-2-3-11-19-15(18)13-16-10-7-14(12-16)17-8-5-4-6-9-17/h14H,2-13H2,1H3
InChIKeyIZNFQPNXNUYTNA-UHFFFAOYSA-N
XLogP1.89
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

butyl 2-(4-cyclopentylpiperazin-1-yl)acetate
CID 55024857
butyl 2-(3-methylpiperidin-1-yl)acetate
CID 60683573
butyl 2-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]acetate
CID 134055061
3-(dimethylamino)propyl 2-[3-(4-methylpiperazin-1-yl)pyrrolidin-1-yl]acetate
CID 58135977
3-piperidin-1-ylpropyl 2-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]acetate
CID 58136099
butyl 2-(4-ethyl-3-methylpiperazin-1-yl)acetate
CID 63609586
1-methoxy-3-(3-piperidin-1-ylpyrrolidin-1-yl)propan-2-one
CID 107507405
butyl 2-(3-phenylpyrrolidin-1-yl)acetate
CID 51128738
2-(dimethylamino)ethyl 2-[3-(4-methylpiperazin-1-yl)pyrrolidin-1-yl]acetate
CID 58136141
butyl 2-[4-(4-benzylpiperazin-1-yl)piperidin-1-yl]acetate;trihydrochloride
CID 140563419
butyl 2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)acetate
CID 66392719
methyl 2-(4-pyrrolidin-1-ylpiperidin-1-yl)acetate
CID 69424198

Frequently Asked Questions

What is the IUPAC name of butyl 2-(3-piperidin-1-ylpyrrolidin-1-yl)acetate?
The IUPAC name of butyl 2-(3-piperidin-1-ylpyrrolidin-1-yl)acetate (CID 55159559) is butyl 2-(3-piperidin-1-ylpyrrolidin-1-yl)acetate.
What is the SMILES notation for butyl 2-(3-piperidin-1-ylpyrrolidin-1-yl)acetate?
The canonical SMILES for butyl 2-(3-piperidin-1-ylpyrrolidin-1-yl)acetate is CCCCOC(=O)CN1CCC(N2CCCCC2)C1.
What is the InChIKey of butyl 2-(3-piperidin-1-ylpyrrolidin-1-yl)acetate?
The InChIKey is IZNFQPNXNUYTNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O2/c1-2-3-11-19-15(18)13-16-10-7-14(12-16)17-8-5-4-6-9-17/h14H,2-13H2,1H3.
What are the key properties of butyl 2-(3-piperidin-1-ylpyrrolidin-1-yl)acetate?
butyl 2-(3-piperidin-1-ylpyrrolidin-1-yl)acetate has a molecular weight of 268.40 g/mol, XLogP of 1.89, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for butyl 2-(3-piperidin-1-ylpyrrolidin-1-yl)acetate is sourced from PubChem (CID 55159559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).