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

C18H31N5O2 — CID 99851631

IUPAC2-methylpropyl 4-[[(8S)-2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]amino]piperidine-1-carboxylate
SMILESCCc1nc2n(n1)CCC[C@@H]2NC1CCN(C(=O)OCC(C)C)CC1
InChIInChI=1S/C18H31N5O2/c1-4-16-20-17-15(6-5-9-23(17)21-16)19-14-7-10-22(11-8-14)18(24)25-12-13(2)3/h13-15,19H,4-12H2,1-3H3/t15-/m0/s1
InChIKeyWALCMFACALWSTD-HNNXBMFYSA-N
MW349.48 g/mol
LogP2.52
Rot. Bonds5

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

2-methylpropyl 4-[[(8S)-2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]amino]piperidine-1-carboxylate (PubChem CID 99851631) has the molecular formula C18H31N5O2 and a molecular weight of 349.48 g/mol. Its IUPAC name is 2-methylpropyl 4-[[(8S)-2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]amino]piperidine-1-carboxylate.

Molecular Properties

Compound Name2-methylpropyl 4-[[(8S)-2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]amino]piperidine-1-carboxylate
PubChem CID99851631
Molecular FormulaC18H31N5O2
Molecular Weight349.48 g/mol
Exact Mass349.25
IUPAC Name2-methylpropyl 4-[[(8S)-2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]amino]piperidine-1-carboxylate
SMILESCCc1nc2n(n1)CCC[C@@H]2NC1CCN(C(=O)OCC(C)C)CC1
InChIInChI=1S/C18H31N5O2/c1-4-16-20-17-15(6-5-9-23(17)21-16)19-14-7-10-22(11-8-14)18(24)25-12-13(2)3/h13-15,19H,4-12H2,1-3H3/t15-/m0/s1
InChIKeyWALCMFACALWSTD-HNNXBMFYSA-N
XLogP2.52
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.48
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

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Related Compounds

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CID 124856463
2-ethyl-N-[(8S)-2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-4-methyl-1,3-oxazole-5-carboxamide
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2-methylpropyl 4-[[1-(3,4-dichlorophenyl)-2-oxopyrrolidin-3-yl]amino]piperidine-1-carboxylate
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Frequently Asked Questions

What is the IUPAC name of 2-methylpropyl 4-[[(8S)-2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]amino]piperidine-1-carboxylate?
The IUPAC name of 2-methylpropyl 4-[[(8S)-2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]amino]piperidine-1-carboxylate (CID 99851631) is 2-methylpropyl 4-[[(8S)-2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]amino]piperidine-1-carboxylate.
What is the SMILES notation for 2-methylpropyl 4-[[(8S)-2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]amino]piperidine-1-carboxylate?
The canonical SMILES for 2-methylpropyl 4-[[(8S)-2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]amino]piperidine-1-carboxylate is CCc1nc2n(n1)CCC[C@@H]2NC1CCN(C(=O)OCC(C)C)CC1.
What is the InChIKey of 2-methylpropyl 4-[[(8S)-2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]amino]piperidine-1-carboxylate?
The InChIKey is WALCMFACALWSTD-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H31N5O2/c1-4-16-20-17-15(6-5-9-23(17)21-16)19-14-7-10-22(11-8-14)18(24)25-12-13(2)3/h13-15,19H,4-12H2,1-3H3/t15-/m0/s1.
What are the key properties of 2-methylpropyl 4-[[(8S)-2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]amino]piperidine-1-carboxylate?
2-methylpropyl 4-[[(8S)-2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]amino]piperidine-1-carboxylate has a molecular weight of 349.48 g/mol, XLogP of 2.52, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropyl 4-[[(8S)-2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]amino]piperidine-1-carboxylate is sourced from PubChem (CID 99851631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).