3-(1-methyl-5-morpholin-4-yl-1,2,4-triazol-3-yl)-5-[2-[(2S)-piperidin-2-yl]ethyl]phenol

C20H29N5O2 — CID 95722396

IUPAC3-(1-methyl-5-morpholin-4-yl-1,2,4-triazol-3-yl)-5-[2-[(2S)-piperidin-2-yl]ethyl]phenol
SMILESCn1nc(-c2cc(O)cc(CC[C@@H]3CCCCN3)c2)nc1N1CCOCC1
InChIInChI=1S/C20H29N5O2/c1-24-20(25-8-10-27-11-9-25)22-19(23-24)16-12-15(13-18(26)14-16)5-6-17-4-2-3-7-21-17/h12-14,17,21,26H,2-11H2,1H3/t17-/m0/s1
InChIKeyODFSXWGNQWMCGV-KRWDZBQOSA-N
MW371.49 g/mol
LogP2.10
Rot. Bonds5

About 3-(1-methyl-5-morpholin-4-yl-1,2,4-triazol-3-yl)-5-[2-[(2S)-piperidin-2-yl]ethyl]phenol

3-(1-methyl-5-morpholin-4-yl-1,2,4-triazol-3-yl)-5-[2-[(2S)-piperidin-2-yl]ethyl]phenol (PubChem CID 95722396) has the molecular formula C20H29N5O2 and a molecular weight of 371.49 g/mol. Its IUPAC name is 3-(1-methyl-5-morpholin-4-yl-1,2,4-triazol-3-yl)-5-[2-[(2S)-piperidin-2-yl]ethyl]phenol.

Molecular Properties

Compound Name3-(1-methyl-5-morpholin-4-yl-1,2,4-triazol-3-yl)-5-[2-[(2S)-piperidin-2-yl]ethyl]phenol
PubChem CID95722396
Molecular FormulaC20H29N5O2
Molecular Weight371.49 g/mol
Exact Mass371.23
IUPAC Name3-(1-methyl-5-morpholin-4-yl-1,2,4-triazol-3-yl)-5-[2-[(2S)-piperidin-2-yl]ethyl]phenol
SMILESCn1nc(-c2cc(O)cc(CC[C@@H]3CCCCN3)c2)nc1N1CCOCC1
InChIInChI=1S/C20H29N5O2/c1-24-20(25-8-10-27-11-9-25)22-19(23-24)16-12-15(13-18(26)14-16)5-6-17-4-2-3-7-21-17/h12-14,17,21,26H,2-11H2,1H3/t17-/m0/s1
InChIKeyODFSXWGNQWMCGV-KRWDZBQOSA-N
XLogP2.10
TPSA75.44 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.49
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-(1-methyl-5-morpholin-4-yl-1,2,4-triazol-3-yl)-5-[2-[(2S)-piperidin-2-yl]ethyl]phenol?
The IUPAC name of 3-(1-methyl-5-morpholin-4-yl-1,2,4-triazol-3-yl)-5-[2-[(2S)-piperidin-2-yl]ethyl]phenol (CID 95722396) is 3-(1-methyl-5-morpholin-4-yl-1,2,4-triazol-3-yl)-5-[2-[(2S)-piperidin-2-yl]ethyl]phenol.
What is the SMILES notation for 3-(1-methyl-5-morpholin-4-yl-1,2,4-triazol-3-yl)-5-[2-[(2S)-piperidin-2-yl]ethyl]phenol?
The canonical SMILES for 3-(1-methyl-5-morpholin-4-yl-1,2,4-triazol-3-yl)-5-[2-[(2S)-piperidin-2-yl]ethyl]phenol is Cn1nc(-c2cc(O)cc(CC[C@@H]3CCCCN3)c2)nc1N1CCOCC1.
What is the InChIKey of 3-(1-methyl-5-morpholin-4-yl-1,2,4-triazol-3-yl)-5-[2-[(2S)-piperidin-2-yl]ethyl]phenol?
The InChIKey is ODFSXWGNQWMCGV-KRWDZBQOSA-N. The full InChI is InChI=1S/C20H29N5O2/c1-24-20(25-8-10-27-11-9-25)22-19(23-24)16-12-15(13-18(26)14-16)5-6-17-4-2-3-7-21-17/h12-14,17,21,26H,2-11H2,1H3/t17-/m0/s1.
What are the key properties of 3-(1-methyl-5-morpholin-4-yl-1,2,4-triazol-3-yl)-5-[2-[(2S)-piperidin-2-yl]ethyl]phenol?
3-(1-methyl-5-morpholin-4-yl-1,2,4-triazol-3-yl)-5-[2-[(2S)-piperidin-2-yl]ethyl]phenol has a molecular weight of 371.49 g/mol, XLogP of 2.10, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methyl-5-morpholin-4-yl-1,2,4-triazol-3-yl)-5-[2-[(2S)-piperidin-2-yl]ethyl]phenol is sourced from PubChem (CID 95722396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).