propan-2-yl 4-(pyrrolidine-1-carbonylamino)piperidine-1-carboxylate

C14H25N3O3 — CID 124559521

IUPACpropan-2-yl 4-(pyrrolidine-1-carbonylamino)piperidine-1-carboxylate
SMILESCC(C)OC(=O)N1CCC(NC(=O)N2CCCC2)CC1
InChIInChI=1S/C14H25N3O3/c1-11(2)20-14(19)17-9-5-12(6-10-17)15-13(18)16-7-3-4-8-16/h11-12H,3-10H2,1-2H3,(H,15,18)
InChIKeyNLTJTWKCMRXIDG-UHFFFAOYSA-N
MW283.37 g/mol
LogP1.80
Rot. Bonds2

About propan-2-yl 4-(pyrrolidine-1-carbonylamino)piperidine-1-carboxylate

propan-2-yl 4-(pyrrolidine-1-carbonylamino)piperidine-1-carboxylate (PubChem CID 124559521) has the molecular formula C14H25N3O3 and a molecular weight of 283.37 g/mol. Its IUPAC name is propan-2-yl 4-(pyrrolidine-1-carbonylamino)piperidine-1-carboxylate.

Molecular Properties

Compound Namepropan-2-yl 4-(pyrrolidine-1-carbonylamino)piperidine-1-carboxylate
PubChem CID124559521
Molecular FormulaC14H25N3O3
Molecular Weight283.37 g/mol
Exact Mass283.19
IUPAC Namepropan-2-yl 4-(pyrrolidine-1-carbonylamino)piperidine-1-carboxylate
SMILESCC(C)OC(=O)N1CCC(NC(=O)N2CCCC2)CC1
InChIInChI=1S/C14H25N3O3/c1-11(2)20-14(19)17-9-5-12(6-10-17)15-13(18)16-7-3-4-8-16/h11-12H,3-10H2,1-2H3,(H,15,18)
InChIKeyNLTJTWKCMRXIDG-UHFFFAOYSA-N
XLogP1.80
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 4-(piperidine-1-carbonylamino)piperidine-1-carboxylate
CID 108987901
propan-2-yl 4-propan-2-ylazepane-1-carboxylate
CID 116656252
tert-butyl 4-(pyrrolidine-1-carbonylamino)piperidine-1-carboxylate
CID 53255659
N-cyclohexyl-4-propan-2-ylazepane-1-carboxamide
CID 115629287
ethyl 4-[(1-ethoxycarbonylpiperidin-4-yl)carbamoyl]piperazine-1-carboxylate
CID 108989873
tert-butyl 4-(azetidine-1-carbonylamino)piperidine-1-carboxylate
CID 71940585
N-[1-(2-ethylbutanoyl)piperidin-4-yl]pyrrolidine-1-carboxamide
CID 124507283
N-(1-methylpiperidin-4-yl)pyrrolidine-1-carboxamide
CID 18723341
4-propan-2-yl-N-(1-propan-2-ylpiperidin-4-yl)piperidine-1-carboxamide
CID 162725913
propan-2-yl 3-(methylamino)pyrrolidine-1-carboxylate
CID 115300213
propan-2-yl 3-acetamidopyrrolidine-1-carboxylate
CID 77434024
propan-2-yl 3-(methoxycarbonylamino)pyrrolidine-1-carboxylate
CID 116657633

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 4-(pyrrolidine-1-carbonylamino)piperidine-1-carboxylate?
The IUPAC name of propan-2-yl 4-(pyrrolidine-1-carbonylamino)piperidine-1-carboxylate (CID 124559521) is propan-2-yl 4-(pyrrolidine-1-carbonylamino)piperidine-1-carboxylate.
What is the SMILES notation for propan-2-yl 4-(pyrrolidine-1-carbonylamino)piperidine-1-carboxylate?
The canonical SMILES for propan-2-yl 4-(pyrrolidine-1-carbonylamino)piperidine-1-carboxylate is CC(C)OC(=O)N1CCC(NC(=O)N2CCCC2)CC1.
What is the InChIKey of propan-2-yl 4-(pyrrolidine-1-carbonylamino)piperidine-1-carboxylate?
The InChIKey is NLTJTWKCMRXIDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O3/c1-11(2)20-14(19)17-9-5-12(6-10-17)15-13(18)16-7-3-4-8-16/h11-12H,3-10H2,1-2H3,(H,15,18).
What are the key properties of propan-2-yl 4-(pyrrolidine-1-carbonylamino)piperidine-1-carboxylate?
propan-2-yl 4-(pyrrolidine-1-carbonylamino)piperidine-1-carboxylate has a molecular weight of 283.37 g/mol, XLogP of 1.80, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 4-(pyrrolidine-1-carbonylamino)piperidine-1-carboxylate is sourced from PubChem (CID 124559521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).