[4-[(1R)-1-morpholin-4-ylethyl]piperidin-1-yl]-[5-(phenoxymethyl)-1H-pyrazol-3-yl]methanone

C22H30N4O3 — CID 25287398

IUPAC[4-[(1R)-1-morpholin-4-ylethyl]piperidin-1-yl]-[5-(phenoxymethyl)-1H-pyrazol-3-yl]methanone
SMILESC[C@H](C1CCN(C(=O)c2cc(COc3ccccc3)[nH]n2)CC1)N1CCOCC1
InChIInChI=1S/C22H30N4O3/c1-17(25-11-13-28-14-12-25)18-7-9-26(10-8-18)22(27)21-15-19(23-24-21)16-29-20-5-3-2-4-6-20/h2-6,15,17-18H,7-14,16H2,1H3,(H,23,24)/t17-/m1/s1
InChIKeyQTXCGKTYZPBOFQ-QGZVFWFLSA-N
MW398.51 g/mol
LogP2.56
Rot. Bonds6

About [4-[(1R)-1-morpholin-4-ylethyl]piperidin-1-yl]-[5-(phenoxymethyl)-1H-pyrazol-3-yl]methanone

[4-[(1R)-1-morpholin-4-ylethyl]piperidin-1-yl]-[5-(phenoxymethyl)-1H-pyrazol-3-yl]methanone (PubChem CID 25287398) has the molecular formula C22H30N4O3 and a molecular weight of 398.51 g/mol. Its IUPAC name is [4-[(1R)-1-morpholin-4-ylethyl]piperidin-1-yl]-[5-(phenoxymethyl)-1H-pyrazol-3-yl]methanone.

Molecular Properties

Compound Name[4-[(1R)-1-morpholin-4-ylethyl]piperidin-1-yl]-[5-(phenoxymethyl)-1H-pyrazol-3-yl]methanone
PubChem CID25287398
Molecular FormulaC22H30N4O3
Molecular Weight398.51 g/mol
Exact Mass398.23
IUPAC Name[4-[(1R)-1-morpholin-4-ylethyl]piperidin-1-yl]-[5-(phenoxymethyl)-1H-pyrazol-3-yl]methanone
SMILESC[C@H](C1CCN(C(=O)c2cc(COc3ccccc3)[nH]n2)CC1)N1CCOCC1
InChIInChI=1S/C22H30N4O3/c1-17(25-11-13-28-14-12-25)18-7-9-26(10-8-18)22(27)21-15-19(23-24-21)16-29-20-5-3-2-4-6-20/h2-6,15,17-18H,7-14,16H2,1H3,(H,23,24)/t17-/m1/s1
InChIKeyQTXCGKTYZPBOFQ-QGZVFWFLSA-N
XLogP2.56
TPSA70.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.51
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-[(1R)-1-morpholin-4-ylethyl]piperidin-1-yl]-[5-(phenoxymethyl)-1H-pyrazol-3-yl]methanone?
The IUPAC name of [4-[(1R)-1-morpholin-4-ylethyl]piperidin-1-yl]-[5-(phenoxymethyl)-1H-pyrazol-3-yl]methanone (CID 25287398) is [4-[(1R)-1-morpholin-4-ylethyl]piperidin-1-yl]-[5-(phenoxymethyl)-1H-pyrazol-3-yl]methanone.
What is the SMILES notation for [4-[(1R)-1-morpholin-4-ylethyl]piperidin-1-yl]-[5-(phenoxymethyl)-1H-pyrazol-3-yl]methanone?
The canonical SMILES for [4-[(1R)-1-morpholin-4-ylethyl]piperidin-1-yl]-[5-(phenoxymethyl)-1H-pyrazol-3-yl]methanone is C[C@H](C1CCN(C(=O)c2cc(COc3ccccc3)[nH]n2)CC1)N1CCOCC1.
What is the InChIKey of [4-[(1R)-1-morpholin-4-ylethyl]piperidin-1-yl]-[5-(phenoxymethyl)-1H-pyrazol-3-yl]methanone?
The InChIKey is QTXCGKTYZPBOFQ-QGZVFWFLSA-N. The full InChI is InChI=1S/C22H30N4O3/c1-17(25-11-13-28-14-12-25)18-7-9-26(10-8-18)22(27)21-15-19(23-24-21)16-29-20-5-3-2-4-6-20/h2-6,15,17-18H,7-14,16H2,1H3,(H,23,24)/t17-/m1/s1.
What are the key properties of [4-[(1R)-1-morpholin-4-ylethyl]piperidin-1-yl]-[5-(phenoxymethyl)-1H-pyrazol-3-yl]methanone?
[4-[(1R)-1-morpholin-4-ylethyl]piperidin-1-yl]-[5-(phenoxymethyl)-1H-pyrazol-3-yl]methanone has a molecular weight of 398.51 g/mol, XLogP of 2.56, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(1R)-1-morpholin-4-ylethyl]piperidin-1-yl]-[5-(phenoxymethyl)-1H-pyrazol-3-yl]methanone is sourced from PubChem (CID 25287398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).