tert-butyl (3S,5R)-3-(2-methylpropylamino)-5-(morpholine-4-carbonyl)piperidine-1-carboxylate

C19H35N3O4 — CID 59356577

IUPACtert-butyl (3S,5R)-3-(2-methylpropylamino)-5-(morpholine-4-carbonyl)piperidine-1-carboxylate
SMILESCC(C)CN[C@H]1C[C@@H](C(=O)N2CCOCC2)CN(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C19H35N3O4/c1-14(2)11-20-16-10-15(17(23)21-6-8-25-9-7-21)12-22(13-16)18(24)26-19(3,4)5/h14-16,20H,6-13H2,1-5H3/t15-,16+/m1/s1
InChIKeyVVQYEWSVAKVAEX-CVEARBPZSA-N
MW369.51 g/mol
LogP1.72
Rot. Bonds4

About tert-butyl (3S,5R)-3-(2-methylpropylamino)-5-(morpholine-4-carbonyl)piperidine-1-carboxylate

tert-butyl (3S,5R)-3-(2-methylpropylamino)-5-(morpholine-4-carbonyl)piperidine-1-carboxylate (PubChem CID 59356577) has the molecular formula C19H35N3O4 and a molecular weight of 369.51 g/mol. Its IUPAC name is tert-butyl (3S,5R)-3-(2-methylpropylamino)-5-(morpholine-4-carbonyl)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (3S,5R)-3-(2-methylpropylamino)-5-(morpholine-4-carbonyl)piperidine-1-carboxylate
PubChem CID59356577
Molecular FormulaC19H35N3O4
Molecular Weight369.51 g/mol
Exact Mass369.26
IUPAC Nametert-butyl (3S,5R)-3-(2-methylpropylamino)-5-(morpholine-4-carbonyl)piperidine-1-carboxylate
SMILESCC(C)CN[C@H]1C[C@@H](C(=O)N2CCOCC2)CN(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C19H35N3O4/c1-14(2)11-20-16-10-15(17(23)21-6-8-25-9-7-21)12-22(13-16)18(24)26-19(3,4)5/h14-16,20H,6-13H2,1-5H3/t15-,16+/m1/s1
InChIKeyVVQYEWSVAKVAEX-CVEARBPZSA-N
XLogP1.72
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.51
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl (3R,5S)-3-(morpholine-4-carbonyl)-5-(2-sulfanylpropylamino)piperidine-1-carboxylate
CID 151062802
tert-butyl (3R,5S)-3-(morpholine-4-carbonyl)-5-(propylamino)piperidine-1-carboxylate
CID 58355640
tert-butyl 3-[(4-methyl-2-morpholin-4-ylpentyl)amino]azetidine-1-carboxylate
CID 113231791
tert-butyl 3-(morpholine-4-carbonylamino)azetidine-1-carboxylate
CID 171991186
tert-butyl 3-(acetyloxymethyl)-5-(2-methylpropylamino)piperidine-1-carboxylate
CID 59625593
tert-butyl (3R)-3-(2-methylpropylamino)piperidine-1-carboxylate
CID 53256504
tert-butyl 3-(piperidine-1-carbonyl)azetidine-1-carboxylate
CID 166469666
CID 132577907
CID 132577907
(3S,5R)-1-[(2-methylpropan-2-yl)oxycarbonyl]-5-morpholin-4-ylpiperidine-3-carboxylic acid
CID 125457367
tert-butyl 3-[1-(oxan-4-yl)ethylamino]pyrrolidine-1-carboxylate
CID 103783530
tert-butyl 3-(2-ethylbutylamino)azepane-1-carboxylate
CID 107249438
tert-butyl 3-[[N'-methyl-N-(2-methyl-3-morpholin-4-ylpropyl)carbamimidoyl]amino]azetidine-1-carboxylate;hydroiodide
CID 109467463

Frequently Asked Questions

What is the IUPAC name of tert-butyl (3S,5R)-3-(2-methylpropylamino)-5-(morpholine-4-carbonyl)piperidine-1-carboxylate?
The IUPAC name of tert-butyl (3S,5R)-3-(2-methylpropylamino)-5-(morpholine-4-carbonyl)piperidine-1-carboxylate (CID 59356577) is tert-butyl (3S,5R)-3-(2-methylpropylamino)-5-(morpholine-4-carbonyl)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl (3S,5R)-3-(2-methylpropylamino)-5-(morpholine-4-carbonyl)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl (3S,5R)-3-(2-methylpropylamino)-5-(morpholine-4-carbonyl)piperidine-1-carboxylate is CC(C)CN[C@H]1C[C@@H](C(=O)N2CCOCC2)CN(C(=O)OC(C)(C)C)C1.
What is the InChIKey of tert-butyl (3S,5R)-3-(2-methylpropylamino)-5-(morpholine-4-carbonyl)piperidine-1-carboxylate?
The InChIKey is VVQYEWSVAKVAEX-CVEARBPZSA-N. The full InChI is InChI=1S/C19H35N3O4/c1-14(2)11-20-16-10-15(17(23)21-6-8-25-9-7-21)12-22(13-16)18(24)26-19(3,4)5/h14-16,20H,6-13H2,1-5H3/t15-,16+/m1/s1.
What are the key properties of tert-butyl (3S,5R)-3-(2-methylpropylamino)-5-(morpholine-4-carbonyl)piperidine-1-carboxylate?
tert-butyl (3S,5R)-3-(2-methylpropylamino)-5-(morpholine-4-carbonyl)piperidine-1-carboxylate has a molecular weight of 369.51 g/mol, XLogP of 1.72, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (3S,5R)-3-(2-methylpropylamino)-5-(morpholine-4-carbonyl)piperidine-1-carboxylate is sourced from PubChem (CID 59356577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).