tert-butyl 2-[2-[[(2S)-1-methoxy-1-oxopropan-2-yl]amino]propyl]piperidine-1-carboxylate

C17H32N2O4 — CID 103723958

IUPACtert-butyl 2-[2-[[(2S)-1-methoxy-1-oxopropan-2-yl]amino]propyl]piperidine-1-carboxylate
SMILESCOC(=O)[C@H](C)NC(C)CC1CCCCN1C(=O)OC(C)(C)C
InChIInChI=1S/C17H32N2O4/c1-12(18-13(2)15(20)22-6)11-14-9-7-8-10-19(14)16(21)23-17(3,4)5/h12-14,18H,7-11H2,1-6H3/t12?,13-,14?/m0/s1
InChIKeyIXCDBUNJIJJDNP-MOKVOYLWSA-N
MW328.45 g/mol
LogP2.71
Rot. Bonds5

About tert-butyl 2-[2-[[(2S)-1-methoxy-1-oxopropan-2-yl]amino]propyl]piperidine-1-carboxylate

tert-butyl 2-[2-[[(2S)-1-methoxy-1-oxopropan-2-yl]amino]propyl]piperidine-1-carboxylate (PubChem CID 103723958) has the molecular formula C17H32N2O4 and a molecular weight of 328.45 g/mol. Its IUPAC name is tert-butyl 2-[2-[[(2S)-1-methoxy-1-oxopropan-2-yl]amino]propyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-[2-[[(2S)-1-methoxy-1-oxopropan-2-yl]amino]propyl]piperidine-1-carboxylate
PubChem CID103723958
Molecular FormulaC17H32N2O4
Molecular Weight328.45 g/mol
Exact Mass328.24
IUPAC Nametert-butyl 2-[2-[[(2S)-1-methoxy-1-oxopropan-2-yl]amino]propyl]piperidine-1-carboxylate
SMILESCOC(=O)[C@H](C)NC(C)CC1CCCCN1C(=O)OC(C)(C)C
InChIInChI=1S/C17H32N2O4/c1-12(18-13(2)15(20)22-6)11-14-9-7-8-10-19(14)16(21)23-17(3,4)5/h12-14,18H,7-11H2,1-6H3/t12?,13-,14?/m0/s1
InChIKeyIXCDBUNJIJJDNP-MOKVOYLWSA-N
XLogP2.71
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.45
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl 2-[2-(3-methylbutan-2-ylamino)propyl]piperidine-1-carboxylate
CID 103723941
tert-butyl 2-[2-(1-methoxypropan-2-ylamino)propyl]azepane-1-carboxylate
CID 103724545
tert-butyl 2-[2-(hydroxyamino)propyl]piperidine-1-carboxylate
CID 82687309
tert-butyl 2-[2-(but-3-yn-2-ylamino)propyl]piperidine-1-carboxylate
CID 114415063
tert-butyl 2-(2-amino-3-methoxy-3-oxopropyl)piperidine-1-carboxylate
CID 84715449
tert-butyl 2-[2-[1-(dimethylamino)propan-2-ylamino]propyl]piperidine-1-carboxylate
CID 103879002
tert-butyl 2-(2-aminopropyl)piperidine-1-carboxylate
CID 79549369
tert-butyl 2-[2-[(1-hydroxy-3-methoxypropan-2-yl)amino]propyl]piperidine-1-carboxylate
CID 106187174
tert-butyl 2-[2-(4-methoxybutan-2-ylamino)propyl]pyrrolidine-1-carboxylate
CID 103723728
tert-butyl 2-(2-hydroxy-3-methoxy-3-oxopropyl)pyrrolidine-1-carboxylate
CID 134341292
tert-butyl 2-[2-[(4-amino-4-oxobutyl)amino]propyl]pyrrolidine-1-carboxylate
CID 103723630
tert-butyl 2-[2-(2,2,2-trifluoroethylamino)propyl]piperidine-1-carboxylate
CID 103723920

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[2-[[(2S)-1-methoxy-1-oxopropan-2-yl]amino]propyl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 2-[2-[[(2S)-1-methoxy-1-oxopropan-2-yl]amino]propyl]piperidine-1-carboxylate (CID 103723958) is tert-butyl 2-[2-[[(2S)-1-methoxy-1-oxopropan-2-yl]amino]propyl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 2-[2-[[(2S)-1-methoxy-1-oxopropan-2-yl]amino]propyl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 2-[2-[[(2S)-1-methoxy-1-oxopropan-2-yl]amino]propyl]piperidine-1-carboxylate is COC(=O)[C@H](C)NC(C)CC1CCCCN1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 2-[2-[[(2S)-1-methoxy-1-oxopropan-2-yl]amino]propyl]piperidine-1-carboxylate?
The InChIKey is IXCDBUNJIJJDNP-MOKVOYLWSA-N. The full InChI is InChI=1S/C17H32N2O4/c1-12(18-13(2)15(20)22-6)11-14-9-7-8-10-19(14)16(21)23-17(3,4)5/h12-14,18H,7-11H2,1-6H3/t12?,13-,14?/m0/s1.
What are the key properties of tert-butyl 2-[2-[[(2S)-1-methoxy-1-oxopropan-2-yl]amino]propyl]piperidine-1-carboxylate?
tert-butyl 2-[2-[[(2S)-1-methoxy-1-oxopropan-2-yl]amino]propyl]piperidine-1-carboxylate has a molecular weight of 328.45 g/mol, XLogP of 2.71, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[2-[[(2S)-1-methoxy-1-oxopropan-2-yl]amino]propyl]piperidine-1-carboxylate is sourced from PubChem (CID 103723958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).