oxalic acid;3-piperidin-1-ylpropyl N-tert-butylcarbamate

C15H28N2O6 — CID 11151722

IUPACoxalic acid;3-piperidin-1-ylpropyl N-tert-butylcarbamate
SMILESCC(C)(C)NC(=O)OCCCN1CCCCC1.O=C(O)C(=O)O
InChIInChI=1S/C13H26N2O2.C2H2O4/c1-13(2,3)14-12(16)17-11-7-10-15-8-5-4-6-9-15;3-1(4)2(5)6/h4-11H2,1-3H3,(H,14,16);(H,3,4)(H,5,6)
InChIKeyFVSJDEMNSOUTHP-UHFFFAOYSA-N
MW332.40 g/mol
LogP1.54
Rot. Bonds4

About oxalic acid;3-piperidin-1-ylpropyl N-tert-butylcarbamate

oxalic acid;3-piperidin-1-ylpropyl N-tert-butylcarbamate (PubChem CID 11151722) has the molecular formula C15H28N2O6 and a molecular weight of 332.40 g/mol. Its IUPAC name is oxalic acid;3-piperidin-1-ylpropyl N-tert-butylcarbamate.

Molecular Properties

Compound Nameoxalic acid;3-piperidin-1-ylpropyl N-tert-butylcarbamate
PubChem CID11151722
Molecular FormulaC15H28N2O6
Molecular Weight332.40 g/mol
Exact Mass332.19
IUPAC Nameoxalic acid;3-piperidin-1-ylpropyl N-tert-butylcarbamate
SMILESCC(C)(C)NC(=O)OCCCN1CCCCC1.O=C(O)C(=O)O
InChIInChI=1S/C13H26N2O2.C2H2O4/c1-13(2,3)14-12(16)17-11-7-10-15-8-5-4-6-9-15;3-1(4)2(5)6/h4-11H2,1-3H3,(H,14,16);(H,3,4)(H,5,6)
InChIKeyFVSJDEMNSOUTHP-UHFFFAOYSA-N
XLogP1.54
TPSA116.17 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 51.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze oxalic acid;3-piperidin-1-ylpropyl N-tert-butylcarbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-piperidin-1-ylpropyl hydrogen carbonate
CID 23210465
3-piperidin-1-ylpropyl N-[6-(3-piperidin-1-ylpropoxycarbonylamino)hexyl]carbamate
CID 156847315
2-(tert-butylcarbamoyloxy)ethyl N-tert-butylcarbamate
CID 176596941
3-pyrrolidin-1-ylpropyl N-[6-(3-pyrrolidin-1-ylpropoxycarbonylamino)hexyl]carbamate
CID 156847303
3-piperidin-1-ylpropyl N-octylcarbamate
CID 11417860
benzyl N-(2-methyl-5-piperidin-1-ylpentan-2-yl)carbamate
CID 67310517
12-pyrrolidin-1-yldodecyl 2,2-difluoropropanoate
CID 58341569
2-morpholin-4-ylethyl 2,2-dimethylpropanoate;3-piperidin-1-ylpropyl 2,2-dimethylpropanoate
CID 158258538
1-[3-(4-tert-butyl-2-methylphenoxy)propyl]piperidine;oxalic acid
CID 2923350
3-(propan-2-ylamino)propyl N-tert-butylcarbamate
CID 79337530
3-piperidin-1-ylpropyl N-(2,2-dimethyl-1-morpholin-4-ylpropylidene)carbamate
CID 71148456
2,2-dimethyl-6-piperidin-1-ylhexanoic acid
CID 106713861

Frequently Asked Questions

What is the IUPAC name of oxalic acid;3-piperidin-1-ylpropyl N-tert-butylcarbamate?
The IUPAC name of oxalic acid;3-piperidin-1-ylpropyl N-tert-butylcarbamate (CID 11151722) is oxalic acid;3-piperidin-1-ylpropyl N-tert-butylcarbamate.
What is the SMILES notation for oxalic acid;3-piperidin-1-ylpropyl N-tert-butylcarbamate?
The canonical SMILES for oxalic acid;3-piperidin-1-ylpropyl N-tert-butylcarbamate is CC(C)(C)NC(=O)OCCCN1CCCCC1.O=C(O)C(=O)O.
What is the InChIKey of oxalic acid;3-piperidin-1-ylpropyl N-tert-butylcarbamate?
The InChIKey is FVSJDEMNSOUTHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2.C2H2O4/c1-13(2,3)14-12(16)17-11-7-10-15-8-5-4-6-9-15;3-1(4)2(5)6/h4-11H2,1-3H3,(H,14,16);(H,3,4)(H,5,6).
What are the key properties of oxalic acid;3-piperidin-1-ylpropyl N-tert-butylcarbamate?
oxalic acid;3-piperidin-1-ylpropyl N-tert-butylcarbamate has a molecular weight of 332.40 g/mol, XLogP of 1.54, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for oxalic acid;3-piperidin-1-ylpropyl N-tert-butylcarbamate is sourced from PubChem (CID 11151722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).