dipentyl 2-piperidin-1-ylbutanedioate

C19H35NO4 — CID 3094195

IUPACdipentyl 2-piperidin-1-ylbutanedioate
SMILESCCCCCOC(=O)CC(C(=O)OCCCCC)N1CCCCC1
InChIInChI=1S/C19H35NO4/c1-3-5-10-14-23-18(21)16-17(20-12-8-7-9-13-20)19(22)24-15-11-6-4-2/h17H,3-16H2,1-2H3
InChIKeyQBMPNWRHTXHPPC-UHFFFAOYSA-N
MW341.49 g/mol
LogP3.70
Rot. Bonds12

About dipentyl 2-piperidin-1-ylbutanedioate

dipentyl 2-piperidin-1-ylbutanedioate (PubChem CID 3094195) has the molecular formula C19H35NO4 and a molecular weight of 341.49 g/mol. Its IUPAC name is dipentyl 2-piperidin-1-ylbutanedioate.

Molecular Properties

Compound Namedipentyl 2-piperidin-1-ylbutanedioate
PubChem CID3094195
Molecular FormulaC19H35NO4
Molecular Weight341.49 g/mol
Exact Mass341.26
IUPAC Namedipentyl 2-piperidin-1-ylbutanedioate
SMILESCCCCCOC(=O)CC(C(=O)OCCCCC)N1CCCCC1
InChIInChI=1S/C19H35NO4/c1-3-5-10-14-23-18(21)16-17(20-12-8-7-9-13-20)19(22)24-15-11-6-4-2/h17H,3-16H2,1-2H3
InChIKeyQBMPNWRHTXHPPC-UHFFFAOYSA-N
XLogP3.70
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.49
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-Ethoxy-4-oxo-3-piperidin-1-ylbutanoic acid
CID 661641
2-Piperidin-1-yl-succinic acid dipentyl ester
CID 9549527
1-Piperidinesuccinic acid, dimethyl ester
CID 140050
Diethyl 2-(piperidin-1-yl)butanedioate
CID 284952
Maleic acid + morpholine
CID 7060825
1-O-ethyl 4-O-methyl 2-methyl-3-morpholin-4-ylbutanedioate
CID 74936058
1-O-ethyl 4-O-methyl 2,2-dimethyl-3-piperidin-1-ylbutanedioate
CID 102412549
4-O-ethyl 1-O-methyl 2-piperidin-1-ylbutanedioate
CID 121001707
1-O-ethyl 4-O-methyl 2-methyl-3-piperidin-1-ylbutanedioate
CID 135016028
4-O-ethyl 1-O-methyl 2-morpholin-4-ylbutanedioate
CID 135016107
4-Methoxy-4-oxo-2-(piperidin-1-yl)butanoic acid
CID 135397344
(3R)-4-ethoxy-4-oxo-3-piperidin-1-ylbutanoic acid
CID 1854478

Frequently Asked Questions

What is the IUPAC name of dipentyl 2-piperidin-1-ylbutanedioate?
The IUPAC name of dipentyl 2-piperidin-1-ylbutanedioate (CID 3094195) is dipentyl 2-piperidin-1-ylbutanedioate.
What is the SMILES notation for dipentyl 2-piperidin-1-ylbutanedioate?
The canonical SMILES for dipentyl 2-piperidin-1-ylbutanedioate is CCCCCOC(=O)CC(C(=O)OCCCCC)N1CCCCC1.
What is the InChIKey of dipentyl 2-piperidin-1-ylbutanedioate?
The InChIKey is QBMPNWRHTXHPPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H35NO4/c1-3-5-10-14-23-18(21)16-17(20-12-8-7-9-13-20)19(22)24-15-11-6-4-2/h17H,3-16H2,1-2H3.
What are the key properties of dipentyl 2-piperidin-1-ylbutanedioate?
dipentyl 2-piperidin-1-ylbutanedioate has a molecular weight of 341.49 g/mol, XLogP of 3.70, 12 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for dipentyl 2-piperidin-1-ylbutanedioate is sourced from PubChem (CID 3094195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).