(2S)-2-hydroxy-2-(1-methylpyrazol-4-yl)-1-[(3R)-3-(morpholin-4-ylmethyl)piperidin-1-yl]ethanone

C16H26N4O3 — CID 124877286

IUPAC(2S)-2-hydroxy-2-(1-methylpyrazol-4-yl)-1-[(3R)-3-(morpholin-4-ylmethyl)piperidin-1-yl]ethanone
SMILESCn1cc([C@H](O)C(=O)N2CCC[C@H](CN3CCOCC3)C2)cn1
InChIInChI=1S/C16H26N4O3/c1-18-12-14(9-17-18)15(21)16(22)20-4-2-3-13(11-20)10-19-5-7-23-8-6-19/h9,12-13,15,21H,2-8,10-11H2,1H3/t13-,15+/m1/s1
InChIKeyWMMXNLWBPGIQIB-HIFRSBDPSA-N
MW322.41 g/mol
LogP0.02
Rot. Bonds4

About (2S)-2-hydroxy-2-(1-methylpyrazol-4-yl)-1-[(3R)-3-(morpholin-4-ylmethyl)piperidin-1-yl]ethanone

(2S)-2-hydroxy-2-(1-methylpyrazol-4-yl)-1-[(3R)-3-(morpholin-4-ylmethyl)piperidin-1-yl]ethanone (PubChem CID 124877286) has the molecular formula C16H26N4O3 and a molecular weight of 322.41 g/mol. Its IUPAC name is (2S)-2-hydroxy-2-(1-methylpyrazol-4-yl)-1-[(3R)-3-(morpholin-4-ylmethyl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name(2S)-2-hydroxy-2-(1-methylpyrazol-4-yl)-1-[(3R)-3-(morpholin-4-ylmethyl)piperidin-1-yl]ethanone
PubChem CID124877286
Molecular FormulaC16H26N4O3
Molecular Weight322.41 g/mol
Exact Mass322.20
IUPAC Name(2S)-2-hydroxy-2-(1-methylpyrazol-4-yl)-1-[(3R)-3-(morpholin-4-ylmethyl)piperidin-1-yl]ethanone
SMILESCn1cc([C@H](O)C(=O)N2CCC[C@H](CN3CCOCC3)C2)cn1
InChIInChI=1S/C16H26N4O3/c1-18-12-14(9-17-18)15(21)16(22)20-4-2-3-13(11-20)10-19-5-7-23-8-6-19/h9,12-13,15,21H,2-8,10-11H2,1H3/t13-,15+/m1/s1
InChIKeyWMMXNLWBPGIQIB-HIFRSBDPSA-N
XLogP0.02
TPSA70.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 50.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-hydroxy-1-[3-(morpholin-4-ylmethyl)piperidin-1-yl]-2-phenylethanone
CID 111464634
(2R)-2-amino-1-[3-(morpholin-4-ylmethyl)piperidin-1-yl]propan-1-one
CID 119875808
[5-(difluoromethyl)-1-methylpyrazol-3-yl]-[(3S)-3-(morpholin-4-ylmethyl)piperidin-1-yl]methanone
CID 136586354
(2S)-2-(3-methyl-4-propan-2-ylphenoxy)-1-[(3R)-3-(morpholin-4-ylmethyl)piperidin-1-yl]propan-1-one
CID 95319915
2-[[3-(hydroxymethyl)piperidine-1-carbonyl]amino]-2-(1-methylpyrazol-4-yl)acetic acid
CID 115289133
(1-methylpyrazol-4-yl)-[3-(morpholin-4-ylsulfonylmethyl)piperidin-1-yl]methanone
CID 129009244
4-[(3R)-3-(morpholin-4-ylmethyl)piperidin-1-yl]-4-oxobutanoic acid
CID 126446645
2-(azepan-1-yl)-1-[3-(morpholin-4-ylmethyl)piperidin-1-yl]ethanone
CID 131914309
(3R)-N-[(2S)-1-[(R)-methylsulfinyl]propan-2-yl]-3-(morpholin-4-ylmethyl)piperidine-1-carboxamide
CID 124616862
2-amino-2-(4-methylphenyl)-1-[3-(morpholin-4-ylmethyl)pyrrolidin-1-yl]ethanone;dihydrochloride
CID 120670473
(2-methyl-1-benzofuran-3-yl)-[(3R)-3-(morpholin-4-ylmethyl)piperidin-1-yl]methanone
CID 126800553
(3S)-1-[2-amino-2-(1-methylpyrazol-4-yl)acetyl]piperidine-3-carboxylic acid
CID 115291008

Frequently Asked Questions

What is the IUPAC name of (2S)-2-hydroxy-2-(1-methylpyrazol-4-yl)-1-[(3R)-3-(morpholin-4-ylmethyl)piperidin-1-yl]ethanone?
The IUPAC name of (2S)-2-hydroxy-2-(1-methylpyrazol-4-yl)-1-[(3R)-3-(morpholin-4-ylmethyl)piperidin-1-yl]ethanone (CID 124877286) is (2S)-2-hydroxy-2-(1-methylpyrazol-4-yl)-1-[(3R)-3-(morpholin-4-ylmethyl)piperidin-1-yl]ethanone.
What is the SMILES notation for (2S)-2-hydroxy-2-(1-methylpyrazol-4-yl)-1-[(3R)-3-(morpholin-4-ylmethyl)piperidin-1-yl]ethanone?
The canonical SMILES for (2S)-2-hydroxy-2-(1-methylpyrazol-4-yl)-1-[(3R)-3-(morpholin-4-ylmethyl)piperidin-1-yl]ethanone is Cn1cc([C@H](O)C(=O)N2CCC[C@H](CN3CCOCC3)C2)cn1.
What is the InChIKey of (2S)-2-hydroxy-2-(1-methylpyrazol-4-yl)-1-[(3R)-3-(morpholin-4-ylmethyl)piperidin-1-yl]ethanone?
The InChIKey is WMMXNLWBPGIQIB-HIFRSBDPSA-N. The full InChI is InChI=1S/C16H26N4O3/c1-18-12-14(9-17-18)15(21)16(22)20-4-2-3-13(11-20)10-19-5-7-23-8-6-19/h9,12-13,15,21H,2-8,10-11H2,1H3/t13-,15+/m1/s1.
What are the key properties of (2S)-2-hydroxy-2-(1-methylpyrazol-4-yl)-1-[(3R)-3-(morpholin-4-ylmethyl)piperidin-1-yl]ethanone?
(2S)-2-hydroxy-2-(1-methylpyrazol-4-yl)-1-[(3R)-3-(morpholin-4-ylmethyl)piperidin-1-yl]ethanone has a molecular weight of 322.41 g/mol, XLogP of 0.02, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-hydroxy-2-(1-methylpyrazol-4-yl)-1-[(3R)-3-(morpholin-4-ylmethyl)piperidin-1-yl]ethanone is sourced from PubChem (CID 124877286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).