butyl 2-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]acetate

C16H28N2O3 — CID 134055061

IUPACbutyl 2-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]acetate
SMILESCCCCOC(=O)CN1CCC(C(=O)N2CCCC2)CC1
InChIInChI=1S/C16H28N2O3/c1-2-3-12-21-15(19)13-17-10-6-14(7-11-17)16(20)18-8-4-5-9-18/h14H,2-13H2,1H3
InChIKeyFGORQXMTCILMTB-UHFFFAOYSA-N
MW296.41 g/mol
LogP1.66
Rot. Bonds6

About butyl 2-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]acetate

butyl 2-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]acetate (PubChem CID 134055061) has the molecular formula C16H28N2O3 and a molecular weight of 296.41 g/mol. Its IUPAC name is butyl 2-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]acetate.

Molecular Properties

Compound Namebutyl 2-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]acetate
PubChem CID134055061
Molecular FormulaC16H28N2O3
Molecular Weight296.41 g/mol
Exact Mass296.21
IUPAC Namebutyl 2-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]acetate
SMILESCCCCOC(=O)CN1CCC(C(=O)N2CCCC2)CC1
InChIInChI=1S/C16H28N2O3/c1-2-3-12-21-15(19)13-17-10-6-14(7-11-17)16(20)18-8-4-5-9-18/h14H,2-13H2,1H3
InChIKeyFGORQXMTCILMTB-UHFFFAOYSA-N
XLogP1.66
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 51.66
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-piperidin-1-ylpyrrolidin-1-yl)acetate
CID 55159559
butyl 2-(4,4-dimethylpiperidin-1-yl)acetate
CID 62922575
butyl 2-(3-methylpiperidin-1-yl)acetate
CID 60683573
butyl 2-[4,7-bis(2-butoxy-2-oxoethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetate
CID 23113355
hexyl 1-(cyclopropanecarbonyl)piperidine-4-carboxylate
CID 78877614
N-heptan-2-yl-2-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]acetamide
CID 134058350
butyl 2-(4-hydroxy-4-methylpiperidin-1-yl)acetate
CID 80702994
butyl 2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)acetate
CID 66392719
butyl N-[1-(cyclopropanecarbonyl)piperidin-4-yl]carbamate
CID 108565971
butyl 2-(4-butan-2-ylpiperazin-1-yl)acetate
CID 62775211
butyl 2-(3-phenylpyrrolidin-1-yl)acetate
CID 51128738

Frequently Asked Questions

What is the IUPAC name of butyl 2-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]acetate?
The IUPAC name of butyl 2-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]acetate (CID 134055061) is butyl 2-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]acetate.
What is the SMILES notation for butyl 2-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]acetate?
The canonical SMILES for butyl 2-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]acetate is CCCCOC(=O)CN1CCC(C(=O)N2CCCC2)CC1.
What is the InChIKey of butyl 2-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]acetate?
The InChIKey is FGORQXMTCILMTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O3/c1-2-3-12-21-15(19)13-17-10-6-14(7-11-17)16(20)18-8-4-5-9-18/h14H,2-13H2,1H3.
What are the key properties of butyl 2-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]acetate?
butyl 2-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]acetate has a molecular weight of 296.41 g/mol, XLogP of 1.66, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for butyl 2-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]acetate is sourced from PubChem (CID 134055061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).