1-[(2S,3S)-3-(1-methylpyrazol-4-yl)-2-(piperidin-1-ylmethyl)morpholin-4-yl]-2-phenylethanone

C22H30N4O2 — CID 155495620

IUPAC1-[(2S,3S)-3-(1-methylpyrazol-4-yl)-2-(piperidin-1-ylmethyl)morpholin-4-yl]-2-phenylethanone
SMILESCn1cc([C@H]2[C@H](CN3CCCCC3)OCCN2C(=O)Cc2ccccc2)cn1
InChIInChI=1S/C22H30N4O2/c1-24-16-19(15-23-24)22-20(17-25-10-6-3-7-11-25)28-13-12-26(22)21(27)14-18-8-4-2-5-9-18/h2,4-5,8-9,15-16,20,22H,3,6-7,10-14,17H2,1H3/t20-,22-/m0/s1
InChIKeyZOILIZLHGPPZLN-UNMCSNQZSA-N
MW382.51 g/mol
LogP2.42
Rot. Bonds5

About 1-[(2S,3S)-3-(1-methylpyrazol-4-yl)-2-(piperidin-1-ylmethyl)morpholin-4-yl]-2-phenylethanone

1-[(2S,3S)-3-(1-methylpyrazol-4-yl)-2-(piperidin-1-ylmethyl)morpholin-4-yl]-2-phenylethanone (PubChem CID 155495620) has the molecular formula C22H30N4O2 and a molecular weight of 382.51 g/mol. Its IUPAC name is 1-[(2S,3S)-3-(1-methylpyrazol-4-yl)-2-(piperidin-1-ylmethyl)morpholin-4-yl]-2-phenylethanone.

Molecular Properties

Compound Name1-[(2S,3S)-3-(1-methylpyrazol-4-yl)-2-(piperidin-1-ylmethyl)morpholin-4-yl]-2-phenylethanone
PubChem CID155495620
Molecular FormulaC22H30N4O2
Molecular Weight382.51 g/mol
Exact Mass382.24
IUPAC Name1-[(2S,3S)-3-(1-methylpyrazol-4-yl)-2-(piperidin-1-ylmethyl)morpholin-4-yl]-2-phenylethanone
SMILESCn1cc([C@H]2[C@H](CN3CCCCC3)OCCN2C(=O)Cc2ccccc2)cn1
InChIInChI=1S/C22H30N4O2/c1-24-16-19(15-23-24)22-20(17-25-10-6-3-7-11-25)28-13-12-26(22)21(27)14-18-8-4-2-5-9-18/h2,4-5,8-9,15-16,20,22H,3,6-7,10-14,17H2,1H3/t20-,22-/m0/s1
InChIKeyZOILIZLHGPPZLN-UNMCSNQZSA-N
XLogP2.42
TPSA50.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.51
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-N-[2-[(2S,3S)-3-(1-methylpyrazol-4-yl)-2-(piperidin-1-ylmethyl)morpholin-4-yl]-2-oxoethyl]propanamide
CID 155505081
4-amino-1-[(2S,3S)-3-(1-methylpyrazol-4-yl)-2-(piperidin-1-ylmethyl)morpholin-4-yl]butan-1-one
CID 155507556
1-[(2S,3S)-3-(1-methylpyrazol-4-yl)-2-(piperidin-1-ylmethyl)morpholin-4-yl]-3-methylsulfonylpropan-1-one
CID 155502215
3-[2-[(2S,3S)-3-(1-methylpyrazol-4-yl)-2-(piperidin-1-ylmethyl)morpholin-4-yl]-2-oxoethyl]-1,3-benzoxazol-2-one
CID 155497432
2-(3-methylphenoxy)-1-[(2S,3S)-3-(1-methylpyrazol-4-yl)-2-(piperidin-1-ylmethyl)morpholin-4-yl]ethanone
CID 155508862
(1-methylpiperidin-4-yl)-[(2S,3S)-3-(1-methylpyrazol-4-yl)-2-(piperidin-1-ylmethyl)morpholin-4-yl]methanone
CID 155506386
1,1-dimethyl-3-[2-[(2S,3S)-3-(1-methylpyrazol-4-yl)-2-(piperidin-1-ylmethyl)morpholin-4-yl]-2-oxoethyl]urea
CID 155505891
2-[4-(hydroxymethyl)phenyl]-1-[(2S,3S)-3-phenyl-2-(pyrrolidin-1-ylmethyl)morpholin-4-yl]ethanone
CID 155510119
2-(3,5-dimethylpyrazol-1-yl)-1-[(2S,3S)-3-(1-methylpyrazol-4-yl)-2-(piperidin-1-ylmethyl)morpholin-4-yl]ethanone
CID 155495820
(3-methyloxetan-3-yl)-[(2S,3S)-3-(1-methylpyrazol-4-yl)-2-(piperidin-1-ylmethyl)morpholin-4-yl]methanone
CID 155505259
1-[(2S,3S)-2-[(4-methyl-1,4-diazepan-1-yl)methyl]-3-(1-methylpyrazol-4-yl)morpholin-4-yl]-3-phenylprop-2-en-1-one
CID 171150576
(2-fluoro-6-methylphenyl)-[(2S,3S)-3-(1-methylpyrazol-4-yl)-2-(piperidin-1-ylmethyl)morpholin-4-yl]methanone
CID 155499744

Frequently Asked Questions

What is the IUPAC name of 1-[(2S,3S)-3-(1-methylpyrazol-4-yl)-2-(piperidin-1-ylmethyl)morpholin-4-yl]-2-phenylethanone?
The IUPAC name of 1-[(2S,3S)-3-(1-methylpyrazol-4-yl)-2-(piperidin-1-ylmethyl)morpholin-4-yl]-2-phenylethanone (CID 155495620) is 1-[(2S,3S)-3-(1-methylpyrazol-4-yl)-2-(piperidin-1-ylmethyl)morpholin-4-yl]-2-phenylethanone.
What is the SMILES notation for 1-[(2S,3S)-3-(1-methylpyrazol-4-yl)-2-(piperidin-1-ylmethyl)morpholin-4-yl]-2-phenylethanone?
The canonical SMILES for 1-[(2S,3S)-3-(1-methylpyrazol-4-yl)-2-(piperidin-1-ylmethyl)morpholin-4-yl]-2-phenylethanone is Cn1cc([C@H]2[C@H](CN3CCCCC3)OCCN2C(=O)Cc2ccccc2)cn1.
What is the InChIKey of 1-[(2S,3S)-3-(1-methylpyrazol-4-yl)-2-(piperidin-1-ylmethyl)morpholin-4-yl]-2-phenylethanone?
The InChIKey is ZOILIZLHGPPZLN-UNMCSNQZSA-N. The full InChI is InChI=1S/C22H30N4O2/c1-24-16-19(15-23-24)22-20(17-25-10-6-3-7-11-25)28-13-12-26(22)21(27)14-18-8-4-2-5-9-18/h2,4-5,8-9,15-16,20,22H,3,6-7,10-14,17H2,1H3/t20-,22-/m0/s1.
What are the key properties of 1-[(2S,3S)-3-(1-methylpyrazol-4-yl)-2-(piperidin-1-ylmethyl)morpholin-4-yl]-2-phenylethanone?
1-[(2S,3S)-3-(1-methylpyrazol-4-yl)-2-(piperidin-1-ylmethyl)morpholin-4-yl]-2-phenylethanone has a molecular weight of 382.51 g/mol, XLogP of 2.42, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S,3S)-3-(1-methylpyrazol-4-yl)-2-(piperidin-1-ylmethyl)morpholin-4-yl]-2-phenylethanone is sourced from PubChem (CID 155495620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).