(2S)-2-[4-[(2-methyl-3-pyridinyl)methyl]piperazin-1-yl]-1-morpholin-4-ylpropan-1-one

C18H28N4O2 — CID 97158990

IUPAC(2S)-2-[4-[(2-methyl-3-pyridinyl)methyl]piperazin-1-yl]-1-morpholin-4-ylpropan-1-one
SMILESCc1ncccc1CN1CCN([C@@H](C)C(=O)N2CCOCC2)CC1
InChIInChI=1S/C18H28N4O2/c1-15-17(4-3-5-19-15)14-20-6-8-21(9-7-20)16(2)18(23)22-10-12-24-13-11-22/h3-5,16H,6-14H2,1-2H3/t16-/m0/s1
InChIKeyORIUPGWOKIKGTD-INIZCTEOSA-N
MW332.45 g/mol
LogP0.75
Rot. Bonds4

About (2S)-2-[4-[(2-methyl-3-pyridinyl)methyl]piperazin-1-yl]-1-morpholin-4-ylpropan-1-one

(2S)-2-[4-[(2-methyl-3-pyridinyl)methyl]piperazin-1-yl]-1-morpholin-4-ylpropan-1-one (PubChem CID 97158990) has the molecular formula C18H28N4O2 and a molecular weight of 332.45 g/mol. Its IUPAC name is (2S)-2-[4-[(2-methyl-3-pyridinyl)methyl]piperazin-1-yl]-1-morpholin-4-ylpropan-1-one.

Molecular Properties

Compound Name(2S)-2-[4-[(2-methyl-3-pyridinyl)methyl]piperazin-1-yl]-1-morpholin-4-ylpropan-1-one
PubChem CID97158990
Molecular FormulaC18H28N4O2
Molecular Weight332.45 g/mol
Exact Mass332.22
IUPAC Name(2S)-2-[4-[(2-methyl-3-pyridinyl)methyl]piperazin-1-yl]-1-morpholin-4-ylpropan-1-one
SMILESCc1ncccc1CN1CCN([C@@H](C)C(=O)N2CCOCC2)CC1
InChIInChI=1S/C18H28N4O2/c1-15-17(4-3-5-19-15)14-20-6-8-21(9-7-20)16(2)18(23)22-10-12-24-13-11-22/h3-5,16H,6-14H2,1-2H3/t16-/m0/s1
InChIKeyORIUPGWOKIKGTD-INIZCTEOSA-N
XLogP0.75
TPSA48.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.45
LogP ≤ 50.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-[4-[(2-methyl-3-pyridinyl)methyl]piperazin-1-yl]-1-morpholin-4-ylpropan-1-one?
The IUPAC name of (2S)-2-[4-[(2-methyl-3-pyridinyl)methyl]piperazin-1-yl]-1-morpholin-4-ylpropan-1-one (CID 97158990) is (2S)-2-[4-[(2-methyl-3-pyridinyl)methyl]piperazin-1-yl]-1-morpholin-4-ylpropan-1-one.
What is the SMILES notation for (2S)-2-[4-[(2-methyl-3-pyridinyl)methyl]piperazin-1-yl]-1-morpholin-4-ylpropan-1-one?
The canonical SMILES for (2S)-2-[4-[(2-methyl-3-pyridinyl)methyl]piperazin-1-yl]-1-morpholin-4-ylpropan-1-one is Cc1ncccc1CN1CCN([C@@H](C)C(=O)N2CCOCC2)CC1.
What is the InChIKey of (2S)-2-[4-[(2-methyl-3-pyridinyl)methyl]piperazin-1-yl]-1-morpholin-4-ylpropan-1-one?
The InChIKey is ORIUPGWOKIKGTD-INIZCTEOSA-N. The full InChI is InChI=1S/C18H28N4O2/c1-15-17(4-3-5-19-15)14-20-6-8-21(9-7-20)16(2)18(23)22-10-12-24-13-11-22/h3-5,16H,6-14H2,1-2H3/t16-/m0/s1.
What are the key properties of (2S)-2-[4-[(2-methyl-3-pyridinyl)methyl]piperazin-1-yl]-1-morpholin-4-ylpropan-1-one?
(2S)-2-[4-[(2-methyl-3-pyridinyl)methyl]piperazin-1-yl]-1-morpholin-4-ylpropan-1-one has a molecular weight of 332.45 g/mol, XLogP of 0.75, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[4-[(2-methyl-3-pyridinyl)methyl]piperazin-1-yl]-1-morpholin-4-ylpropan-1-one is sourced from PubChem (CID 97158990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).