methyl 4-(butoxycarbonylamino)-4-piperidin-1-ylbutanoate

C15H28N2O4 — CID 69184372

IUPACmethyl 4-(butoxycarbonylamino)-4-piperidin-1-ylbutanoate
SMILESCCCCOC(=O)NC(CCC(=O)OC)N1CCCCC1
InChIInChI=1S/C15H28N2O4/c1-3-4-12-21-15(19)16-13(8-9-14(18)20-2)17-10-6-5-7-11-17/h13H,3-12H2,1-2H3,(H,16,19)
InChIKeyMNHOSCMTWNOEQL-UHFFFAOYSA-N
MW300.40 g/mol
LogP2.28
Rot. Bonds8

About methyl 4-(butoxycarbonylamino)-4-piperidin-1-ylbutanoate

methyl 4-(butoxycarbonylamino)-4-piperidin-1-ylbutanoate (PubChem CID 69184372) has the molecular formula C15H28N2O4 and a molecular weight of 300.40 g/mol. Its IUPAC name is methyl 4-(butoxycarbonylamino)-4-piperidin-1-ylbutanoate.

Molecular Properties

Compound Namemethyl 4-(butoxycarbonylamino)-4-piperidin-1-ylbutanoate
PubChem CID69184372
Molecular FormulaC15H28N2O4
Molecular Weight300.40 g/mol
Exact Mass300.20
IUPAC Namemethyl 4-(butoxycarbonylamino)-4-piperidin-1-ylbutanoate
SMILESCCCCOC(=O)NC(CCC(=O)OC)N1CCCCC1
InChIInChI=1S/C15H28N2O4/c1-3-4-12-21-15(19)16-13(8-9-14(18)20-2)17-10-6-5-7-11-17/h13H,3-12H2,1-2H3,(H,16,19)
InChIKeyMNHOSCMTWNOEQL-UHFFFAOYSA-N
XLogP2.28
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

Methyl 1-(butylcarbamoyl)piperidine-4-carboxylate
CID 6461551
Ethyl 1-(ethylcarbamoyl)piperidine-4-carboxylate
CID 13106483
butyl N-(piperidin-1-ylmethyl)carbamate
CID 20026959
Ethyl 4-acetamido-4-morpholin-4-ylbutanoate
CID 22069192
ethyl N-piperidin-2-ylcarbamate
CID 54283157
Tert-butyl 2-(butoxycarbonylamino)-4-carbamoylpiperidine-1-carboxylate
CID 69527519
1-O-tert-butyl 4-O-methyl 2-aminopiperidine-1,4-dicarboxylate
CID 69548859
Ethyl 2-(butoxycarbonylamino)piperidine-1-carboxylate
CID 69638015
Methyl 4-(butoxycarbonylamino)-4-(dimethylamino)butanoate
CID 87697937
Ethyl 2-(carbamoylamino)piperidine-1-carboxylate
CID 142653476
Butyl 2-(methylamino)piperidine-1-carboxylate
CID 142779220
4-O-tert-butyl 1-O-ethyl 2-aminopiperidine-1,4-dicarboxylate
CID 162371259

Frequently Asked Questions

What is the IUPAC name of methyl 4-(butoxycarbonylamino)-4-piperidin-1-ylbutanoate?
The IUPAC name of methyl 4-(butoxycarbonylamino)-4-piperidin-1-ylbutanoate (CID 69184372) is methyl 4-(butoxycarbonylamino)-4-piperidin-1-ylbutanoate.
What is the SMILES notation for methyl 4-(butoxycarbonylamino)-4-piperidin-1-ylbutanoate?
The canonical SMILES for methyl 4-(butoxycarbonylamino)-4-piperidin-1-ylbutanoate is CCCCOC(=O)NC(CCC(=O)OC)N1CCCCC1.
What is the InChIKey of methyl 4-(butoxycarbonylamino)-4-piperidin-1-ylbutanoate?
The InChIKey is MNHOSCMTWNOEQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O4/c1-3-4-12-21-15(19)16-13(8-9-14(18)20-2)17-10-6-5-7-11-17/h13H,3-12H2,1-2H3,(H,16,19).
What are the key properties of methyl 4-(butoxycarbonylamino)-4-piperidin-1-ylbutanoate?
methyl 4-(butoxycarbonylamino)-4-piperidin-1-ylbutanoate has a molecular weight of 300.40 g/mol, XLogP of 2.28, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(butoxycarbonylamino)-4-piperidin-1-ylbutanoate is sourced from PubChem (CID 69184372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).