tert-butyl (3S)-3-[(1S)-1-[[(1S)-1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]amino]ethyl]piperidine-1-carboxylate

C20H35N5O2 — CID 124868882

IUPACtert-butyl (3S)-3-[(1S)-1-[[(1S)-1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]amino]ethyl]piperidine-1-carboxylate
SMILESC[C@H](N[C@@H](C)[C@H]1CCCN(C(=O)OC(C)(C)C)C1)c1nnc2n1CCCC2
InChIInChI=1S/C20H35N5O2/c1-14(16-9-8-11-24(13-16)19(26)27-20(3,4)5)21-15(2)18-23-22-17-10-6-7-12-25(17)18/h14-16,21H,6-13H2,1-5H3/t14-,15-,16-/m0/s1
InChIKeyXFTRBDDRZMLNDR-JYJNAYRXSA-N
MW377.53 g/mol
LogP3.30
Rot. Bonds4

About tert-butyl (3S)-3-[(1S)-1-[[(1S)-1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]amino]ethyl]piperidine-1-carboxylate

tert-butyl (3S)-3-[(1S)-1-[[(1S)-1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]amino]ethyl]piperidine-1-carboxylate (PubChem CID 124868882) has the molecular formula C20H35N5O2 and a molecular weight of 377.53 g/mol. Its IUPAC name is tert-butyl (3S)-3-[(1S)-1-[[(1S)-1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]amino]ethyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (3S)-3-[(1S)-1-[[(1S)-1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]amino]ethyl]piperidine-1-carboxylate
PubChem CID124868882
Molecular FormulaC20H35N5O2
Molecular Weight377.53 g/mol
Exact Mass377.28
IUPAC Nametert-butyl (3S)-3-[(1S)-1-[[(1S)-1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]amino]ethyl]piperidine-1-carboxylate
SMILESC[C@H](N[C@@H](C)[C@H]1CCCN(C(=O)OC(C)(C)C)C1)c1nnc2n1CCCC2
InChIInChI=1S/C20H35N5O2/c1-14(16-9-8-11-24(13-16)19(26)27-20(3,4)5)21-15(2)18-23-22-17-10-6-7-12-25(17)18/h14-16,21H,6-13H2,1-5H3/t14-,15-,16-/m0/s1
InChIKeyXFTRBDDRZMLNDR-JYJNAYRXSA-N
XLogP3.30
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.53
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze tert-butyl (3S)-3-[(1S)-1-[[(1S)-1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]amino]ethyl]piperidine-1-carboxylate with MolForge

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Related Compounds

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CID 124737239
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tert-butyl 3-[1-(1,3-dihydroxypropan-2-ylamino)ethyl]piperidine-1-carboxylate
CID 65312713
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CID 103780304
tert-butyl 3-[1-(1,1-difluoropropan-2-ylamino)ethyl]piperidine-1-carboxylate
CID 107247336
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CID 103948438
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CID 103649308
tert-butyl 3-[1-[[(2S)-1-hydroxybutan-2-yl]amino]ethyl]piperidine-1-carboxylate
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tert-butyl 3-[1-(methanesulfonamido)ethyl]piperidine-1-carboxylate
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Frequently Asked Questions

What is the IUPAC name of tert-butyl (3S)-3-[(1S)-1-[[(1S)-1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]amino]ethyl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl (3S)-3-[(1S)-1-[[(1S)-1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]amino]ethyl]piperidine-1-carboxylate (CID 124868882) is tert-butyl (3S)-3-[(1S)-1-[[(1S)-1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]amino]ethyl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl (3S)-3-[(1S)-1-[[(1S)-1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]amino]ethyl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl (3S)-3-[(1S)-1-[[(1S)-1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]amino]ethyl]piperidine-1-carboxylate is C[C@H](N[C@@H](C)[C@H]1CCCN(C(=O)OC(C)(C)C)C1)c1nnc2n1CCCC2.
What is the InChIKey of tert-butyl (3S)-3-[(1S)-1-[[(1S)-1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]amino]ethyl]piperidine-1-carboxylate?
The InChIKey is XFTRBDDRZMLNDR-JYJNAYRXSA-N. The full InChI is InChI=1S/C20H35N5O2/c1-14(16-9-8-11-24(13-16)19(26)27-20(3,4)5)21-15(2)18-23-22-17-10-6-7-12-25(17)18/h14-16,21H,6-13H2,1-5H3/t14-,15-,16-/m0/s1.
What are the key properties of tert-butyl (3S)-3-[(1S)-1-[[(1S)-1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]amino]ethyl]piperidine-1-carboxylate?
tert-butyl (3S)-3-[(1S)-1-[[(1S)-1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]amino]ethyl]piperidine-1-carboxylate has a molecular weight of 377.53 g/mol, XLogP of 3.30, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (3S)-3-[(1S)-1-[[(1S)-1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]amino]ethyl]piperidine-1-carboxylate is sourced from PubChem (CID 124868882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).