4-[(3R)-3-methylmorpholin-4-yl]-6-[4-(1H-pyrazol-5-yl)phenyl]piperidin-2-one

C19H24N4O2 — CID 162533427

IUPAC4-[(3R)-3-methylmorpholin-4-yl]-6-[4-(1H-pyrazol-5-yl)phenyl]piperidin-2-one
SMILESC[C@@H]1COCCN1C1CC(=O)NC(c2ccc(-c3ccn[nH]3)cc2)C1
InChIInChI=1S/C19H24N4O2/c1-13-12-25-9-8-23(13)16-10-18(21-19(24)11-16)15-4-2-14(3-5-15)17-6-7-20-22-17/h2-7,13,16,18H,8-12H2,1H3,(H,20,22)(H,21,24)/t13-,16?,18?/m1/s1
InChIKeySMIYMCBRPOZREX-IMUUDWKMSA-N
MW340.43 g/mol
LogP2.12
Rot. Bonds3

About 4-[(3R)-3-methylmorpholin-4-yl]-6-[4-(1H-pyrazol-5-yl)phenyl]piperidin-2-one

4-[(3R)-3-methylmorpholin-4-yl]-6-[4-(1H-pyrazol-5-yl)phenyl]piperidin-2-one (PubChem CID 162533427) has the molecular formula C19H24N4O2 and a molecular weight of 340.43 g/mol. Its IUPAC name is 4-[(3R)-3-methylmorpholin-4-yl]-6-[4-(1H-pyrazol-5-yl)phenyl]piperidin-2-one.

Molecular Properties

Compound Name4-[(3R)-3-methylmorpholin-4-yl]-6-[4-(1H-pyrazol-5-yl)phenyl]piperidin-2-one
PubChem CID162533427
Molecular FormulaC19H24N4O2
Molecular Weight340.43 g/mol
Exact Mass340.19
IUPAC Name4-[(3R)-3-methylmorpholin-4-yl]-6-[4-(1H-pyrazol-5-yl)phenyl]piperidin-2-one
SMILESC[C@@H]1COCCN1C1CC(=O)NC(c2ccc(-c3ccn[nH]3)cc2)C1
InChIInChI=1S/C19H24N4O2/c1-13-12-25-9-8-23(13)16-10-18(21-19(24)11-16)15-4-2-14(3-5-15)17-6-7-20-22-17/h2-7,13,16,18H,8-12H2,1H3,(H,20,22)(H,21,24)/t13-,16?,18?/m1/s1
InChIKeySMIYMCBRPOZREX-IMUUDWKMSA-N
XLogP2.12
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(3R)-3-methylmorpholin-4-yl]-6-[4-(1H-pyrazol-5-yl)phenyl]piperidin-2-one?
The IUPAC name of 4-[(3R)-3-methylmorpholin-4-yl]-6-[4-(1H-pyrazol-5-yl)phenyl]piperidin-2-one (CID 162533427) is 4-[(3R)-3-methylmorpholin-4-yl]-6-[4-(1H-pyrazol-5-yl)phenyl]piperidin-2-one.
What is the SMILES notation for 4-[(3R)-3-methylmorpholin-4-yl]-6-[4-(1H-pyrazol-5-yl)phenyl]piperidin-2-one?
The canonical SMILES for 4-[(3R)-3-methylmorpholin-4-yl]-6-[4-(1H-pyrazol-5-yl)phenyl]piperidin-2-one is C[C@@H]1COCCN1C1CC(=O)NC(c2ccc(-c3ccn[nH]3)cc2)C1.
What is the InChIKey of 4-[(3R)-3-methylmorpholin-4-yl]-6-[4-(1H-pyrazol-5-yl)phenyl]piperidin-2-one?
The InChIKey is SMIYMCBRPOZREX-IMUUDWKMSA-N. The full InChI is InChI=1S/C19H24N4O2/c1-13-12-25-9-8-23(13)16-10-18(21-19(24)11-16)15-4-2-14(3-5-15)17-6-7-20-22-17/h2-7,13,16,18H,8-12H2,1H3,(H,20,22)(H,21,24)/t13-,16?,18?/m1/s1.
What are the key properties of 4-[(3R)-3-methylmorpholin-4-yl]-6-[4-(1H-pyrazol-5-yl)phenyl]piperidin-2-one?
4-[(3R)-3-methylmorpholin-4-yl]-6-[4-(1H-pyrazol-5-yl)phenyl]piperidin-2-one has a molecular weight of 340.43 g/mol, XLogP of 2.12, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3R)-3-methylmorpholin-4-yl]-6-[4-(1H-pyrazol-5-yl)phenyl]piperidin-2-one is sourced from PubChem (CID 162533427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).