4-aminopiperidine-4-carboxamide;tert-butyl 4-amino-4-carbamoylpiperidine-1-carboxylate;dichloromethane

C18H36Cl2N6O4 — CID 158250448

IUPAC4-aminopiperidine-4-carboxamide;tert-butyl 4-amino-4-carbamoylpiperidine-1-carboxylate;dichloromethane
SMILESCC(C)(C)OC(=O)N1CCC(N)(C(N)=O)CC1.ClCCl.NC(=O)C1(N)CCNCC1
InChIInChI=1S/C11H21N3O3.C6H13N3O.CH2Cl2/c1-10(2,3)17-9(16)14-6-4-11(13,5-7-14)8(12)15;7-5(10)6(8)1-3-9-4-2-6;2-1-3/h4-7,13H2,1-3H3,(H2,12,15);9H,1-4,8H2,(H2,7,10);1H2
InChIKeyGGQLBMYODGZMBJ-UHFFFAOYSA-N
MW471.43 g/mol
LogP0.17
Rot. Bonds2

About 4-aminopiperidine-4-carboxamide;tert-butyl 4-amino-4-carbamoylpiperidine-1-carboxylate;dichloromethane

4-aminopiperidine-4-carboxamide;tert-butyl 4-amino-4-carbamoylpiperidine-1-carboxylate;dichloromethane (PubChem CID 158250448) has the molecular formula C18H36Cl2N6O4 and a molecular weight of 471.43 g/mol. Its IUPAC name is 4-aminopiperidine-4-carboxamide;tert-butyl 4-amino-4-carbamoylpiperidine-1-carboxylate;dichloromethane.

Molecular Properties

Compound Name4-aminopiperidine-4-carboxamide;tert-butyl 4-amino-4-carbamoylpiperidine-1-carboxylate;dichloromethane
PubChem CID158250448
Molecular FormulaC18H36Cl2N6O4
Molecular Weight471.43 g/mol
Exact Mass470.22
IUPAC Name4-aminopiperidine-4-carboxamide;tert-butyl 4-amino-4-carbamoylpiperidine-1-carboxylate;dichloromethane
SMILESCC(C)(C)OC(=O)N1CCC(N)(C(N)=O)CC1.ClCCl.NC(=O)C1(N)CCNCC1
InChIInChI=1S/C11H21N3O3.C6H13N3O.CH2Cl2/c1-10(2,3)17-9(16)14-6-4-11(13,5-7-14)8(12)15;7-5(10)6(8)1-3-9-4-2-6;2-1-3/h4-7,13H2,1-3H3,(H2,12,15);9H,1-4,8H2,(H2,7,10);1H2
InChIKeyGGQLBMYODGZMBJ-UHFFFAOYSA-N
XLogP0.17
TPSA179.79 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.43
LogP ≤ 50.17
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl 4,4-bis(hydroxymethyl)piperidine-1-carboxylate;[4-(hydroxymethyl)piperidin-4-yl]methanol
CID 161037215
tert-butyl 1,4,7,10-tetrazacyclododecane-1-carboxylate
CID 57428961
tert-butyl piperazine-1-carboxylate;methane
CID 174471990
4-amino-1-[(2-methylpropan-2-yl)oxycarbonyl]azepane-4-carboxylic acid
CID 44607608
butane;tert-butyl piperazine-1-carboxylate
CID 170170212
tert-butyl piperazine-1-carboxylate;nitroxyl
CID 172741064
tert-butyl 4-carbamoyl-4-propylpiperidine-1-carboxylate
CID 146844151
tert-butyl 4-amino-4-(cyclopropylmethyl)piperidine-1-carboxylate
CID 86276716
tert-butyl 2,7-diazaspiro[3.5]nonane-2-carboxylate;ethane
CID 168901437
tert-butyl 4,4-bis(aminomethyl)piperidine-1-carboxylate
CID 126502774
tert-butyl 2,7-diazaspiro[3.5]nonane-7-carboxylate;ethane
CID 176939891
tert-butyl 4-(2-aminoacetyl)-4-methylpiperidine-1-carboxylate
CID 115047873

Frequently Asked Questions

What is the IUPAC name of 4-aminopiperidine-4-carboxamide;tert-butyl 4-amino-4-carbamoylpiperidine-1-carboxylate;dichloromethane?
The IUPAC name of 4-aminopiperidine-4-carboxamide;tert-butyl 4-amino-4-carbamoylpiperidine-1-carboxylate;dichloromethane (CID 158250448) is 4-aminopiperidine-4-carboxamide;tert-butyl 4-amino-4-carbamoylpiperidine-1-carboxylate;dichloromethane.
What is the SMILES notation for 4-aminopiperidine-4-carboxamide;tert-butyl 4-amino-4-carbamoylpiperidine-1-carboxylate;dichloromethane?
The canonical SMILES for 4-aminopiperidine-4-carboxamide;tert-butyl 4-amino-4-carbamoylpiperidine-1-carboxylate;dichloromethane is CC(C)(C)OC(=O)N1CCC(N)(C(N)=O)CC1.ClCCl.NC(=O)C1(N)CCNCC1.
What is the InChIKey of 4-aminopiperidine-4-carboxamide;tert-butyl 4-amino-4-carbamoylpiperidine-1-carboxylate;dichloromethane?
The InChIKey is GGQLBMYODGZMBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O3.C6H13N3O.CH2Cl2/c1-10(2,3)17-9(16)14-6-4-11(13,5-7-14)8(12)15;7-5(10)6(8)1-3-9-4-2-6;2-1-3/h4-7,13H2,1-3H3,(H2,12,15);9H,1-4,8H2,(H2,7,10);1H2.
What are the key properties of 4-aminopiperidine-4-carboxamide;tert-butyl 4-amino-4-carbamoylpiperidine-1-carboxylate;dichloromethane?
4-aminopiperidine-4-carboxamide;tert-butyl 4-amino-4-carbamoylpiperidine-1-carboxylate;dichloromethane has a molecular weight of 471.43 g/mol, XLogP of 0.17, 2 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-aminopiperidine-4-carboxamide;tert-butyl 4-amino-4-carbamoylpiperidine-1-carboxylate;dichloromethane is sourced from PubChem (CID 158250448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).