morpholin-3-yl-[4-[6-[(5-propyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]piperidin-1-yl]methanone

C21H29N5O2S — CID 132778578

IUPACmorpholin-3-yl-[4-[6-[(5-propyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]piperidin-1-yl]methanone
SMILESCCCc1cnc(Nc2cccc(C3CCN(C(=O)C4COCCN4)CC3)n2)s1
InChIInChI=1S/C21H29N5O2S/c1-2-4-16-13-23-21(29-16)25-19-6-3-5-17(24-19)15-7-10-26(11-8-15)20(27)18-14-28-12-9-22-18/h3,5-6,13,15,18,22H,2,4,7-12,14H2,1H3,(H,23,24,25)
InChIKeyPKIKKUPKPRTMKH-UHFFFAOYSA-N
MW415.56 g/mol
LogP2.93
Rot. Bonds6

About morpholin-3-yl-[4-[6-[(5-propyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]piperidin-1-yl]methanone

morpholin-3-yl-[4-[6-[(5-propyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]piperidin-1-yl]methanone (PubChem CID 132778578) has the molecular formula C21H29N5O2S and a molecular weight of 415.56 g/mol. Its IUPAC name is morpholin-3-yl-[4-[6-[(5-propyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]piperidin-1-yl]methanone.

Molecular Properties

Compound Namemorpholin-3-yl-[4-[6-[(5-propyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]piperidin-1-yl]methanone
PubChem CID132778578
Molecular FormulaC21H29N5O2S
Molecular Weight415.56 g/mol
Exact Mass415.20
IUPAC Namemorpholin-3-yl-[4-[6-[(5-propyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]piperidin-1-yl]methanone
SMILESCCCc1cnc(Nc2cccc(C3CCN(C(=O)C4COCCN4)CC3)n2)s1
InChIInChI=1S/C21H29N5O2S/c1-2-4-16-13-23-21(29-16)25-19-6-3-5-17(24-19)15-7-10-26(11-8-15)20(27)18-14-28-12-9-22-18/h3,5-6,13,15,18,22H,2,4,7-12,14H2,1H3,(H,23,24,25)
InChIKeyPKIKKUPKPRTMKH-UHFFFAOYSA-N
XLogP2.93
TPSA79.38 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.56
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of morpholin-3-yl-[4-[6-[(5-propyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]piperidin-1-yl]methanone?
The IUPAC name of morpholin-3-yl-[4-[6-[(5-propyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]piperidin-1-yl]methanone (CID 132778578) is morpholin-3-yl-[4-[6-[(5-propyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]piperidin-1-yl]methanone.
What is the SMILES notation for morpholin-3-yl-[4-[6-[(5-propyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]piperidin-1-yl]methanone?
The canonical SMILES for morpholin-3-yl-[4-[6-[(5-propyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]piperidin-1-yl]methanone is CCCc1cnc(Nc2cccc(C3CCN(C(=O)C4COCCN4)CC3)n2)s1.
What is the InChIKey of morpholin-3-yl-[4-[6-[(5-propyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]piperidin-1-yl]methanone?
The InChIKey is PKIKKUPKPRTMKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N5O2S/c1-2-4-16-13-23-21(29-16)25-19-6-3-5-17(24-19)15-7-10-26(11-8-15)20(27)18-14-28-12-9-22-18/h3,5-6,13,15,18,22H,2,4,7-12,14H2,1H3,(H,23,24,25).
What are the key properties of morpholin-3-yl-[4-[6-[(5-propyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]piperidin-1-yl]methanone?
morpholin-3-yl-[4-[6-[(5-propyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]piperidin-1-yl]methanone has a molecular weight of 415.56 g/mol, XLogP of 2.93, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for morpholin-3-yl-[4-[6-[(5-propyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]piperidin-1-yl]methanone is sourced from PubChem (CID 132778578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).