tert-butyl 4-(4-carbamoyl-2-pyridinyl)piperidine-1-carboxylate

C16H23N3O3 — CID 175285120

IUPACtert-butyl 4-(4-carbamoyl-2-pyridinyl)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(c2cc(C(N)=O)ccn2)CC1
InChIInChI=1S/C16H23N3O3/c1-16(2,3)22-15(21)19-8-5-11(6-9-19)13-10-12(14(17)20)4-7-18-13/h4,7,10-11H,5-6,8-9H2,1-3H3,(H2,17,20)
InChIKeyDWWGZNYVQIVYCB-UHFFFAOYSA-N
MW305.38 g/mol
LogP2.30
Rot. Bonds2

About tert-butyl 4-(4-carbamoyl-2-pyridinyl)piperidine-1-carboxylate

tert-butyl 4-(4-carbamoyl-2-pyridinyl)piperidine-1-carboxylate (PubChem CID 175285120) has the molecular formula C16H23N3O3 and a molecular weight of 305.38 g/mol. Its IUPAC name is tert-butyl 4-(4-carbamoyl-2-pyridinyl)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(4-carbamoyl-2-pyridinyl)piperidine-1-carboxylate
PubChem CID175285120
Molecular FormulaC16H23N3O3
Molecular Weight305.38 g/mol
Exact Mass305.17
IUPAC Nametert-butyl 4-(4-carbamoyl-2-pyridinyl)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(c2cc(C(N)=O)ccn2)CC1
InChIInChI=1S/C16H23N3O3/c1-16(2,3)22-15(21)19-8-5-11(6-9-19)13-10-12(14(17)20)4-7-18-13/h4,7,10-11H,5-6,8-9H2,1-3H3,(H2,17,20)
InChIKeyDWWGZNYVQIVYCB-UHFFFAOYSA-N
XLogP2.30
TPSA85.52 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 4-pyridin-2-ylpiperidine-1-carboxylate
CID 11108143
tert-butyl 4-(2-chloropyrimidin-4-yl)piperidine-1-carboxylate
CID 46839930
tert-butyl 4-[2-(methylamino)pyrimidin-4-yl]piperidine-1-carboxylate
CID 162748495
4-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]pyridine-2-carboxylic acid
CID 74788423
tert-butyl 4-(6-chloro-2-pyridinyl)piperidine-1-carboxylate
CID 134611090
4-[6-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-3-pyridinyl]benzoic acid
CID 175660741
tert-butyl 4-(5-amino-2-pyridinyl)piperidine-1-carboxylate;oxalic acid
CID 74892502
tert-butyl 4-(1-methylpyrazol-3-yl)piperidine-1-carboxylate
CID 122270741
tert-butyl 4-(1,3-oxazol-2-yl)piperidine-1-carboxylate
CID 131229980
tert-butyl 4-(4-carbamothioylphenyl)piperidine-1-carboxylate
CID 172570363
tert-butyl 4-[5-(methylamino)-2-pyridinyl]piperidine-1-carboxylate
CID 167190668
tert-butyl 4-(6-ethoxy-2-pyridinyl)piperidine-1-carboxylate
CID 170079671

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(4-carbamoyl-2-pyridinyl)piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-(4-carbamoyl-2-pyridinyl)piperidine-1-carboxylate (CID 175285120) is tert-butyl 4-(4-carbamoyl-2-pyridinyl)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-(4-carbamoyl-2-pyridinyl)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-(4-carbamoyl-2-pyridinyl)piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(c2cc(C(N)=O)ccn2)CC1.
What is the InChIKey of tert-butyl 4-(4-carbamoyl-2-pyridinyl)piperidine-1-carboxylate?
The InChIKey is DWWGZNYVQIVYCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O3/c1-16(2,3)22-15(21)19-8-5-11(6-9-19)13-10-12(14(17)20)4-7-18-13/h4,7,10-11H,5-6,8-9H2,1-3H3,(H2,17,20).
What are the key properties of tert-butyl 4-(4-carbamoyl-2-pyridinyl)piperidine-1-carboxylate?
tert-butyl 4-(4-carbamoyl-2-pyridinyl)piperidine-1-carboxylate has a molecular weight of 305.38 g/mol, XLogP of 2.30, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(4-carbamoyl-2-pyridinyl)piperidine-1-carboxylate is sourced from PubChem (CID 175285120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).