tert-butyl 2-(2-piperidin-1-ylpropylcarbamoyl)pyrrolidine-1-carboxylate

C18H33N3O3 — CID 110620641

IUPACtert-butyl 2-(2-piperidin-1-ylpropylcarbamoyl)pyrrolidine-1-carboxylate
SMILESCC(CNC(=O)C1CCCN1C(=O)OC(C)(C)C)N1CCCCC1
InChIInChI=1S/C18H33N3O3/c1-14(20-10-6-5-7-11-20)13-19-16(22)15-9-8-12-21(15)17(23)24-18(2,3)4/h14-15H,5-13H2,1-4H3,(H,19,22)
InChIKeyURPIGYAETAHAEA-UHFFFAOYSA-N
MW339.48 g/mol
LogP2.38
Rot. Bonds4

About tert-butyl 2-(2-piperidin-1-ylpropylcarbamoyl)pyrrolidine-1-carboxylate

tert-butyl 2-(2-piperidin-1-ylpropylcarbamoyl)pyrrolidine-1-carboxylate (PubChem CID 110620641) has the molecular formula C18H33N3O3 and a molecular weight of 339.48 g/mol. Its IUPAC name is tert-butyl 2-(2-piperidin-1-ylpropylcarbamoyl)pyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-(2-piperidin-1-ylpropylcarbamoyl)pyrrolidine-1-carboxylate
PubChem CID110620641
Molecular FormulaC18H33N3O3
Molecular Weight339.48 g/mol
Exact Mass339.25
IUPAC Nametert-butyl 2-(2-piperidin-1-ylpropylcarbamoyl)pyrrolidine-1-carboxylate
SMILESCC(CNC(=O)C1CCCN1C(=O)OC(C)(C)C)N1CCCCC1
InChIInChI=1S/C18H33N3O3/c1-14(20-10-6-5-7-11-20)13-19-16(22)15-9-8-12-21(15)17(23)24-18(2,3)4/h14-15H,5-13H2,1-4H3,(H,19,22)
InChIKeyURPIGYAETAHAEA-UHFFFAOYSA-N
XLogP2.38
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.48
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 2-[(2-oxo-2-piperidin-1-ylethyl)carbamoyl]pyrrolidine-1-carboxylate
CID 110633567
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CID 70050480
tert-butyl 2-(3-methylbutylcarbamoyl)pyrrolidine-1-carboxylate
CID 57153522
tert-butyl (2S)-2-[[2-oxo-2-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]ethyl]carbamoyl]pyrrolidine-1-carboxylate
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tert-butyl (2S)-2-[2-(methylamino)ethylcarbamoyl]pyrrolidine-1-carboxylate
CID 102225547
tert-butyl (2S)-2-(hydroxycarbamoyl)pyrrolidine-1-carboxylate
CID 14471857
tert-butyl 2-(3-methylbutan-2-ylcarbamoyl)pyrrolidine-1-carboxylate
CID 73237927
tert-butyl 2-(octylcarbamoyl)azepane-1-carboxylate
CID 21019257
tert-butyl 2-(tert-butylcarbamoyl)piperidine-1-carboxylate
CID 100994535
tert-butyl (2S)-2-[[2-[[(2S)-1-(methylamino)-1-oxopropan-2-yl]amino]-2-oxoethyl]carbamoyl]pyrrolidine-1-carboxylate
CID 57346302
tert-butyl 2-[[2-[[1-(methylamino)-1-oxopropan-2-yl]amino]-2-oxoethyl]carbamoyl]pyrrolidine-1-carboxylate
CID 71332934
tert-butyl 2-[[2-methoxy-2-(4-methylphenyl)ethyl]carbamoyl]pyrrolidine-1-carboxylate
CID 142633745

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-(2-piperidin-1-ylpropylcarbamoyl)pyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl 2-(2-piperidin-1-ylpropylcarbamoyl)pyrrolidine-1-carboxylate (CID 110620641) is tert-butyl 2-(2-piperidin-1-ylpropylcarbamoyl)pyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl 2-(2-piperidin-1-ylpropylcarbamoyl)pyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl 2-(2-piperidin-1-ylpropylcarbamoyl)pyrrolidine-1-carboxylate is CC(CNC(=O)C1CCCN1C(=O)OC(C)(C)C)N1CCCCC1.
What is the InChIKey of tert-butyl 2-(2-piperidin-1-ylpropylcarbamoyl)pyrrolidine-1-carboxylate?
The InChIKey is URPIGYAETAHAEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33N3O3/c1-14(20-10-6-5-7-11-20)13-19-16(22)15-9-8-12-21(15)17(23)24-18(2,3)4/h14-15H,5-13H2,1-4H3,(H,19,22).
What are the key properties of tert-butyl 2-(2-piperidin-1-ylpropylcarbamoyl)pyrrolidine-1-carboxylate?
tert-butyl 2-(2-piperidin-1-ylpropylcarbamoyl)pyrrolidine-1-carboxylate has a molecular weight of 339.48 g/mol, XLogP of 2.38, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-(2-piperidin-1-ylpropylcarbamoyl)pyrrolidine-1-carboxylate is sourced from PubChem (CID 110620641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).