tert-butyl 4-[[(1S)-1-cyclopropylethoxy]carbonylamino]piperidine-1-carboxylate

C16H28N2O4 — CID 129418730

IUPACtert-butyl 4-[[(1S)-1-cyclopropylethoxy]carbonylamino]piperidine-1-carboxylate
SMILESC[C@H](OC(=O)NC1CCN(C(=O)OC(C)(C)C)CC1)C1CC1
InChIInChI=1S/C16H28N2O4/c1-11(12-5-6-12)21-14(19)17-13-7-9-18(10-8-13)15(20)22-16(2,3)4/h11-13H,5-10H2,1-4H3,(H,17,19)/t11-/m0/s1
InChIKeyMMLRXHIMAWZNLD-NSHDSACASA-N
MW312.41 g/mol
LogP2.91
Rot. Bonds3

About tert-butyl 4-[[(1S)-1-cyclopropylethoxy]carbonylamino]piperidine-1-carboxylate

tert-butyl 4-[[(1S)-1-cyclopropylethoxy]carbonylamino]piperidine-1-carboxylate (PubChem CID 129418730) has the molecular formula C16H28N2O4 and a molecular weight of 312.41 g/mol. Its IUPAC name is tert-butyl 4-[[(1S)-1-cyclopropylethoxy]carbonylamino]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[[(1S)-1-cyclopropylethoxy]carbonylamino]piperidine-1-carboxylate
PubChem CID129418730
Molecular FormulaC16H28N2O4
Molecular Weight312.41 g/mol
Exact Mass312.20
IUPAC Nametert-butyl 4-[[(1S)-1-cyclopropylethoxy]carbonylamino]piperidine-1-carboxylate
SMILESC[C@H](OC(=O)NC1CCN(C(=O)OC(C)(C)C)CC1)C1CC1
InChIInChI=1S/C16H28N2O4/c1-11(12-5-6-12)21-14(19)17-13-7-9-18(10-8-13)15(20)22-16(2,3)4/h11-13H,5-10H2,1-4H3,(H,17,19)/t11-/m0/s1
InChIKeyMMLRXHIMAWZNLD-NSHDSACASA-N
XLogP2.91
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.41
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 4-(1-cyclopropylethylamino)piperidine-1-carboxylate
CID 43652193
tert-butyl 4-[[(1S)-1-cyclopentylethyl]amino]piperidine-1-carboxylate
CID 81389556
tert-butyl 4-propan-2-ylpiperidine-1-carboxylate
CID 22899309
tert-butyl 4-(1-cyclopropylethylamino)azepane-1-carboxylate
CID 103980938
tert-butyl 4-(azetidine-1-carbonylamino)piperidine-1-carboxylate
CID 71940585
tert-butyl 4-(pyrrolidine-1-carbonylamino)piperidine-1-carboxylate
CID 53255659
tert-butyl 4-(1,1-difluoropropan-2-ylamino)piperidine-1-carboxylate
CID 107241659
tert-butyl 4-[cyclopropyl-(sulfanylamino)methyl]piperidine-1-carboxylate;2-methylpropane
CID 142509298
tert-butyl 4-[1-(oxolan-3-yl)ethylamino]piperidine-1-carboxylate
CID 115677343
tert-butyl 4-[cyclopropyl-(sulfanylamino)methyl]piperidine-1-carboxylate
CID 142509299
tert-butyl 4-(1-methoxyethyl)piperidine-1-carboxylate;propane
CID 155573661
4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-1-carboxylic acid
CID 18784768

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[[(1S)-1-cyclopropylethoxy]carbonylamino]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[[(1S)-1-cyclopropylethoxy]carbonylamino]piperidine-1-carboxylate (CID 129418730) is tert-butyl 4-[[(1S)-1-cyclopropylethoxy]carbonylamino]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[[(1S)-1-cyclopropylethoxy]carbonylamino]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[[(1S)-1-cyclopropylethoxy]carbonylamino]piperidine-1-carboxylate is C[C@H](OC(=O)NC1CCN(C(=O)OC(C)(C)C)CC1)C1CC1.
What is the InChIKey of tert-butyl 4-[[(1S)-1-cyclopropylethoxy]carbonylamino]piperidine-1-carboxylate?
The InChIKey is MMLRXHIMAWZNLD-NSHDSACASA-N. The full InChI is InChI=1S/C16H28N2O4/c1-11(12-5-6-12)21-14(19)17-13-7-9-18(10-8-13)15(20)22-16(2,3)4/h11-13H,5-10H2,1-4H3,(H,17,19)/t11-/m0/s1.
What are the key properties of tert-butyl 4-[[(1S)-1-cyclopropylethoxy]carbonylamino]piperidine-1-carboxylate?
tert-butyl 4-[[(1S)-1-cyclopropylethoxy]carbonylamino]piperidine-1-carboxylate has a molecular weight of 312.41 g/mol, XLogP of 2.91, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[[(1S)-1-cyclopropylethoxy]carbonylamino]piperidine-1-carboxylate is sourced from PubChem (CID 129418730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).