tert-butyl 4-(pyrrolidine-1-carbonylamino)piperidine-1-carboxylate

C15H27N3O3 — CID 53255659

IUPACtert-butyl 4-(pyrrolidine-1-carbonylamino)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(NC(=O)N2CCCC2)CC1
InChIInChI=1S/C15H27N3O3/c1-15(2,3)21-14(20)18-10-6-12(7-11-18)16-13(19)17-8-4-5-9-17/h12H,4-11H2,1-3H3,(H,16,19)
InChIKeyIGPDHCLVSYLPBJ-UHFFFAOYSA-N
MW297.40 g/mol
LogP2.19
Rot. Bonds1

About tert-butyl 4-(pyrrolidine-1-carbonylamino)piperidine-1-carboxylate

tert-butyl 4-(pyrrolidine-1-carbonylamino)piperidine-1-carboxylate (PubChem CID 53255659) has the molecular formula C15H27N3O3 and a molecular weight of 297.40 g/mol. Its IUPAC name is tert-butyl 4-(pyrrolidine-1-carbonylamino)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(pyrrolidine-1-carbonylamino)piperidine-1-carboxylate
PubChem CID53255659
Molecular FormulaC15H27N3O3
Molecular Weight297.40 g/mol
Exact Mass297.21
IUPAC Nametert-butyl 4-(pyrrolidine-1-carbonylamino)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(NC(=O)N2CCCC2)CC1
InChIInChI=1S/C15H27N3O3/c1-15(2,3)21-14(20)18-10-6-12(7-11-18)16-13(19)17-8-4-5-9-17/h12H,4-11H2,1-3H3,(H,16,19)
InChIKeyIGPDHCLVSYLPBJ-UHFFFAOYSA-N
XLogP2.19
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl 4-(azetidine-1-carbonylamino)piperidine-1-carboxylate
CID 71940585
tert-butyl 4-[[(4S)-4-methylazepane-1-carbonyl]amino]piperidine-1-carboxylate
CID 95041598
ethyl 4-(piperidine-1-carbonylamino)piperidine-1-carboxylate
CID 108987901
propan-2-yl 4-(pyrrolidine-1-carbonylamino)piperidine-1-carboxylate
CID 124559521
tert-butyl pyrrolidine-1-carboxylate;ethane;methanol
CID 142181784
tert-butyl azacyclopentadecane-1-carboxylate
CID 11771344
tert-butyl 4-[(1-methylcyclobutanecarbonyl)amino]piperidine-1-carboxylate
CID 126454930
tert-butyl N-[1-(pyrrolidine-1-carbonyl)piperidin-4-yl]carbamate
CID 46318296
tert-butyl 4-[(4-aminocyclohexyl)amino]azepane-1-carboxylate
CID 103982002
tert-butyl 4-[(4-hydroxycyclohexyl)amino]azepane-1-carboxylate
CID 103980484
tert-butyl 4-[[(1S,2R)-2-methylcyclohexyl]carbamoyl]piperazine-1-carboxylate
CID 51476594
azane;tert-butyl piperidine-1-carboxylate
CID 134583959

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(pyrrolidine-1-carbonylamino)piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-(pyrrolidine-1-carbonylamino)piperidine-1-carboxylate (CID 53255659) is tert-butyl 4-(pyrrolidine-1-carbonylamino)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-(pyrrolidine-1-carbonylamino)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-(pyrrolidine-1-carbonylamino)piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(NC(=O)N2CCCC2)CC1.
What is the InChIKey of tert-butyl 4-(pyrrolidine-1-carbonylamino)piperidine-1-carboxylate?
The InChIKey is IGPDHCLVSYLPBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O3/c1-15(2,3)21-14(20)18-10-6-12(7-11-18)16-13(19)17-8-4-5-9-17/h12H,4-11H2,1-3H3,(H,16,19).
What are the key properties of tert-butyl 4-(pyrrolidine-1-carbonylamino)piperidine-1-carboxylate?
tert-butyl 4-(pyrrolidine-1-carbonylamino)piperidine-1-carboxylate has a molecular weight of 297.40 g/mol, XLogP of 2.19, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(pyrrolidine-1-carbonylamino)piperidine-1-carboxylate is sourced from PubChem (CID 53255659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).