tert-butyl 4-(pyridin-3-ylamino)piperidine-1-carboxylate

C15H23N3O2 — CID 22499486

IUPACtert-butyl 4-(pyridin-3-ylamino)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(Nc2cccnc2)CC1
InChIInChI=1S/C15H23N3O2/c1-15(2,3)20-14(19)18-9-6-12(7-10-18)17-13-5-4-8-16-11-13/h4-5,8,11-12,17H,6-7,9-10H2,1-3H3
InChIKeySGWSPSSRJWXVTE-UHFFFAOYSA-N
MW277.37 g/mol
LogP2.89
Rot. Bonds2

About tert-butyl 4-(pyridin-3-ylamino)piperidine-1-carboxylate

tert-butyl 4-(pyridin-3-ylamino)piperidine-1-carboxylate (PubChem CID 22499486) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is tert-butyl 4-(pyridin-3-ylamino)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(pyridin-3-ylamino)piperidine-1-carboxylate
PubChem CID22499486
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC Nametert-butyl 4-(pyridin-3-ylamino)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(Nc2cccnc2)CC1
InChIInChI=1S/C15H23N3O2/c1-15(2,3)20-14(19)18-9-6-12(7-10-18)17-13-5-4-8-16-11-13/h4-5,8,11-12,17H,6-7,9-10H2,1-3H3
InChIKeySGWSPSSRJWXVTE-UHFFFAOYSA-N
XLogP2.89
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(pyridin-3-ylamino)piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-(pyridin-3-ylamino)piperidine-1-carboxylate (CID 22499486) is tert-butyl 4-(pyridin-3-ylamino)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-(pyridin-3-ylamino)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-(pyridin-3-ylamino)piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(Nc2cccnc2)CC1.
What is the InChIKey of tert-butyl 4-(pyridin-3-ylamino)piperidine-1-carboxylate?
The InChIKey is SGWSPSSRJWXVTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-15(2,3)20-14(19)18-9-6-12(7-10-18)17-13-5-4-8-16-11-13/h4-5,8,11-12,17H,6-7,9-10H2,1-3H3.
What are the key properties of tert-butyl 4-(pyridin-3-ylamino)piperidine-1-carboxylate?
tert-butyl 4-(pyridin-3-ylamino)piperidine-1-carboxylate has a molecular weight of 277.37 g/mol, XLogP of 2.89, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(pyridin-3-ylamino)piperidine-1-carboxylate is sourced from PubChem (CID 22499486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).