tert-butyl 4-formamidopiperidine-1-carboxylate;ethane;3-methylpiperidine

C21H45N3O3 — CID 144757905

IUPACtert-butyl 4-formamidopiperidine-1-carboxylate;ethane;3-methylpiperidine
SMILESCC.CC.CC(C)(C)OC(=O)N1CCC(NC=O)CC1.CC1CCCNC1
InChIInChI=1S/C11H20N2O3.C6H13N.2C2H6/c1-11(2,3)16-10(15)13-6-4-9(5-7-13)12-8-14;1-6-3-2-4-7-5-6;2*1-2/h8-9H,4-7H2,1-3H3,(H,12,14);6-7H,2-5H2,1H3;2*1-2H3
InChIKeyLEQCKDIEMDYFGK-UHFFFAOYSA-N
MW387.61 g/mol
LogP4.19
Rot. Bonds2

About tert-butyl 4-formamidopiperidine-1-carboxylate;ethane;3-methylpiperidine

tert-butyl 4-formamidopiperidine-1-carboxylate;ethane;3-methylpiperidine (PubChem CID 144757905) has the molecular formula C21H45N3O3 and a molecular weight of 387.61 g/mol. Its IUPAC name is tert-butyl 4-formamidopiperidine-1-carboxylate;ethane;3-methylpiperidine.

Molecular Properties

Compound Nametert-butyl 4-formamidopiperidine-1-carboxylate;ethane;3-methylpiperidine
PubChem CID144757905
Molecular FormulaC21H45N3O3
Molecular Weight387.61 g/mol
Exact Mass387.35
IUPAC Nametert-butyl 4-formamidopiperidine-1-carboxylate;ethane;3-methylpiperidine
SMILESCC.CC.CC(C)(C)OC(=O)N1CCC(NC=O)CC1.CC1CCCNC1
InChIInChI=1S/C11H20N2O3.C6H13N.2C2H6/c1-11(2,3)16-10(15)13-6-4-9(5-7-13)12-8-14;1-6-3-2-4-7-5-6;2*1-2/h8-9H,4-7H2,1-3H3,(H,12,14);6-7H,2-5H2,1H3;2*1-2H3
InChIKeyLEQCKDIEMDYFGK-UHFFFAOYSA-N
XLogP4.19
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.61
LogP ≤ 54.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Tert-butyl (1R,5S)-3,7-diazabicyclo[3.3.1]nonane-3-carboxylate
CID 75487613
tert-butyl N-methyl-N-[(piperidin-3-yl)methyl]carbamate
CID 23004744
1,1-Dimethylethyl 4-(formylamino)-1-piperidinecarboxylate
CID 87225995
tert-Butyl 4-(piperidin-4-yl)piperazine-1-carboxylate
CID 17750356
tert-Butyl 4-(piperazin-1-yl)piperidine-1-carboxylate
CID 17750358
Tert-butyl 2-(piperidin-3-yl)piperidine-1-carboxylate
CID 19691271
tert-butyl N-(3-methylpiperidin-4-yl)carbamate
CID 22278845
Tert-butyl 3,7-diazabicyclo(3.3.1)nonane-3-carboxylate
CID 22490264
tert-Butyl 3-((methylamino)methyl)piperidine-1-carboxylate
CID 24256606
(R)-tert-butyl 3-((methylamino)methyl)piperidine-1-carboxylate
CID 42052661
Tert-butyl decahydro-1,6-naphthyridine-6-carboxylate
CID 49761053
4-Piperidin-4-ylmethyl-piperidine-1-carboxylic acid t-butyl ester
CID 49761197

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-formamidopiperidine-1-carboxylate;ethane;3-methylpiperidine?
The IUPAC name of tert-butyl 4-formamidopiperidine-1-carboxylate;ethane;3-methylpiperidine (CID 144757905) is tert-butyl 4-formamidopiperidine-1-carboxylate;ethane;3-methylpiperidine.
What is the SMILES notation for tert-butyl 4-formamidopiperidine-1-carboxylate;ethane;3-methylpiperidine?
The canonical SMILES for tert-butyl 4-formamidopiperidine-1-carboxylate;ethane;3-methylpiperidine is CC.CC.CC(C)(C)OC(=O)N1CCC(NC=O)CC1.CC1CCCNC1.
What is the InChIKey of tert-butyl 4-formamidopiperidine-1-carboxylate;ethane;3-methylpiperidine?
The InChIKey is LEQCKDIEMDYFGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O3.C6H13N.2C2H6/c1-11(2,3)16-10(15)13-6-4-9(5-7-13)12-8-14;1-6-3-2-4-7-5-6;2*1-2/h8-9H,4-7H2,1-3H3,(H,12,14);6-7H,2-5H2,1H3;2*1-2H3.
What are the key properties of tert-butyl 4-formamidopiperidine-1-carboxylate;ethane;3-methylpiperidine?
tert-butyl 4-formamidopiperidine-1-carboxylate;ethane;3-methylpiperidine has a molecular weight of 387.61 g/mol, XLogP of 4.19, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-formamidopiperidine-1-carboxylate;ethane;3-methylpiperidine is sourced from PubChem (CID 144757905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).