tert-butyl (2S)-2-(2-methyl-6-morpholin-4-yl-3-pyridinyl)piperidine-1-carboxylate

C20H31N3O3 — CID 124500262

IUPACtert-butyl (2S)-2-(2-methyl-6-morpholin-4-yl-3-pyridinyl)piperidine-1-carboxylate
SMILESCc1nc(N2CCOCC2)ccc1[C@@H]1CCCCN1C(=O)OC(C)(C)C
InChIInChI=1S/C20H31N3O3/c1-15-16(8-9-18(21-15)22-11-13-25-14-12-22)17-7-5-6-10-23(17)19(24)26-20(2,3)4/h8-9,17H,5-7,10-14H2,1-4H3/t17-/m0/s1
InChIKeyWVBJEMJUYMPBPJ-KRWDZBQOSA-N
MW361.49 g/mol
LogP3.69
Rot. Bonds2

About tert-butyl (2S)-2-(2-methyl-6-morpholin-4-yl-3-pyridinyl)piperidine-1-carboxylate

tert-butyl (2S)-2-(2-methyl-6-morpholin-4-yl-3-pyridinyl)piperidine-1-carboxylate (PubChem CID 124500262) has the molecular formula C20H31N3O3 and a molecular weight of 361.49 g/mol. Its IUPAC name is tert-butyl (2S)-2-(2-methyl-6-morpholin-4-yl-3-pyridinyl)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (2S)-2-(2-methyl-6-morpholin-4-yl-3-pyridinyl)piperidine-1-carboxylate
PubChem CID124500262
Molecular FormulaC20H31N3O3
Molecular Weight361.49 g/mol
Exact Mass361.24
IUPAC Nametert-butyl (2S)-2-(2-methyl-6-morpholin-4-yl-3-pyridinyl)piperidine-1-carboxylate
SMILESCc1nc(N2CCOCC2)ccc1[C@@H]1CCCCN1C(=O)OC(C)(C)C
InChIInChI=1S/C20H31N3O3/c1-15-16(8-9-18(21-15)22-11-13-25-14-12-22)17-7-5-6-10-23(17)19(24)26-20(2,3)4/h8-9,17H,5-7,10-14H2,1-4H3/t17-/m0/s1
InChIKeyWVBJEMJUYMPBPJ-KRWDZBQOSA-N
XLogP3.69
TPSA54.90 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.49
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

benzyl (2S)-2-(2-methyl-6-morpholin-4-yl-3-pyridinyl)piperidine-1-carboxylate
CID 124500264
1-[(2R)-2-(2-methyl-6-morpholin-4-yl-3-pyridinyl)pyrrolidin-1-yl]ethanone
CID 124500229
4-[6-methyl-5-[(2R)-1-propan-2-ylpiperidin-2-yl]-2-pyridinyl]morpholine
CID 124500255
tert-butyl 2-(6-piperidin-1-yl-3-pyridinyl)piperidine-1-carboxylate
CID 102541520
4-[6-methyl-5-[(2R)-1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]-2-pyridinyl]morpholine
CID 124500244
tert-butyl 2-(3-methyl-2-morpholin-4-yl-3H-pyrrolo[3,2-c]pyridin-7-yl)pyrrolidine-1-carboxylate
CID 129029846
tert-butyl 2-(2-methylphenyl)pyrrolidine-1-carboxylate;ethane
CID 144843357
tert-butyl 2-(2-morpholin-4-yl-3,4-dihydropyrido[3,4-b]pyrazin-8-yl)pyrrolidine-1-carboxylate
CID 129029841
tert-butyl 2-(1H-pyrazol-5-yl)piperidine-1-carboxylate
CID 75817647
tert-butyl 2-(4-phenyl-1,3-thiazol-2-yl)piperidine-1-carboxylate
CID 67357840
tert-butyl (2S)-2-(furan-2-yl)piperidine-1-carboxylate
CID 124500862
tert-butyl 2-(3-ethyl-2-methylphenyl)pyrrolidine-1-carboxylate
CID 143322624

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2S)-2-(2-methyl-6-morpholin-4-yl-3-pyridinyl)piperidine-1-carboxylate?
The IUPAC name of tert-butyl (2S)-2-(2-methyl-6-morpholin-4-yl-3-pyridinyl)piperidine-1-carboxylate (CID 124500262) is tert-butyl (2S)-2-(2-methyl-6-morpholin-4-yl-3-pyridinyl)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl (2S)-2-(2-methyl-6-morpholin-4-yl-3-pyridinyl)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl (2S)-2-(2-methyl-6-morpholin-4-yl-3-pyridinyl)piperidine-1-carboxylate is Cc1nc(N2CCOCC2)ccc1[C@@H]1CCCCN1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl (2S)-2-(2-methyl-6-morpholin-4-yl-3-pyridinyl)piperidine-1-carboxylate?
The InChIKey is WVBJEMJUYMPBPJ-KRWDZBQOSA-N. The full InChI is InChI=1S/C20H31N3O3/c1-15-16(8-9-18(21-15)22-11-13-25-14-12-22)17-7-5-6-10-23(17)19(24)26-20(2,3)4/h8-9,17H,5-7,10-14H2,1-4H3/t17-/m0/s1.
What are the key properties of tert-butyl (2S)-2-(2-methyl-6-morpholin-4-yl-3-pyridinyl)piperidine-1-carboxylate?
tert-butyl (2S)-2-(2-methyl-6-morpholin-4-yl-3-pyridinyl)piperidine-1-carboxylate has a molecular weight of 361.49 g/mol, XLogP of 3.69, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2S)-2-(2-methyl-6-morpholin-4-yl-3-pyridinyl)piperidine-1-carboxylate is sourced from PubChem (CID 124500262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).