1-[4-(hydroxymethyl)piperidin-1-yl]-2-[(3S)-4-(4-methylthiadiazole-5-carbonyl)morpholin-3-yl]ethanone

C16H24N4O4S — CID 95862421

IUPAC1-[4-(hydroxymethyl)piperidin-1-yl]-2-[(3S)-4-(4-methylthiadiazole-5-carbonyl)morpholin-3-yl]ethanone
SMILESCc1nnsc1C(=O)N1CCOC[C@@H]1CC(=O)N1CCC(CO)CC1
InChIInChI=1S/C16H24N4O4S/c1-11-15(25-18-17-11)16(23)20-6-7-24-10-13(20)8-14(22)19-4-2-12(9-21)3-5-19/h12-13,21H,2-10H2,1H3/t13-/m0/s1
InChIKeyNYYXAEVLTPPRJX-ZDUSSCGKSA-N
MW368.46 g/mol
LogP0.31
Rot. Bonds4

About 1-[4-(hydroxymethyl)piperidin-1-yl]-2-[(3S)-4-(4-methylthiadiazole-5-carbonyl)morpholin-3-yl]ethanone

1-[4-(hydroxymethyl)piperidin-1-yl]-2-[(3S)-4-(4-methylthiadiazole-5-carbonyl)morpholin-3-yl]ethanone (PubChem CID 95862421) has the molecular formula C16H24N4O4S and a molecular weight of 368.46 g/mol. Its IUPAC name is 1-[4-(hydroxymethyl)piperidin-1-yl]-2-[(3S)-4-(4-methylthiadiazole-5-carbonyl)morpholin-3-yl]ethanone.

Molecular Properties

Compound Name1-[4-(hydroxymethyl)piperidin-1-yl]-2-[(3S)-4-(4-methylthiadiazole-5-carbonyl)morpholin-3-yl]ethanone
PubChem CID95862421
Molecular FormulaC16H24N4O4S
Molecular Weight368.46 g/mol
Exact Mass368.15
IUPAC Name1-[4-(hydroxymethyl)piperidin-1-yl]-2-[(3S)-4-(4-methylthiadiazole-5-carbonyl)morpholin-3-yl]ethanone
SMILESCc1nnsc1C(=O)N1CCOC[C@@H]1CC(=O)N1CCC(CO)CC1
InChIInChI=1S/C16H24N4O4S/c1-11-15(25-18-17-11)16(23)20-6-7-24-10-13(20)8-14(22)19-4-2-12(9-21)3-5-19/h12-13,21H,2-10H2,1H3/t13-/m0/s1
InChIKeyNYYXAEVLTPPRJX-ZDUSSCGKSA-N
XLogP0.31
TPSA95.86 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.46
LogP ≤ 50.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(hydroxymethyl)piperidin-1-yl]-2-[(3S)-4-(4-methylthiadiazole-5-carbonyl)morpholin-3-yl]ethanone?
The IUPAC name of 1-[4-(hydroxymethyl)piperidin-1-yl]-2-[(3S)-4-(4-methylthiadiazole-5-carbonyl)morpholin-3-yl]ethanone (CID 95862421) is 1-[4-(hydroxymethyl)piperidin-1-yl]-2-[(3S)-4-(4-methylthiadiazole-5-carbonyl)morpholin-3-yl]ethanone.
What is the SMILES notation for 1-[4-(hydroxymethyl)piperidin-1-yl]-2-[(3S)-4-(4-methylthiadiazole-5-carbonyl)morpholin-3-yl]ethanone?
The canonical SMILES for 1-[4-(hydroxymethyl)piperidin-1-yl]-2-[(3S)-4-(4-methylthiadiazole-5-carbonyl)morpholin-3-yl]ethanone is Cc1nnsc1C(=O)N1CCOC[C@@H]1CC(=O)N1CCC(CO)CC1.
What is the InChIKey of 1-[4-(hydroxymethyl)piperidin-1-yl]-2-[(3S)-4-(4-methylthiadiazole-5-carbonyl)morpholin-3-yl]ethanone?
The InChIKey is NYYXAEVLTPPRJX-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H24N4O4S/c1-11-15(25-18-17-11)16(23)20-6-7-24-10-13(20)8-14(22)19-4-2-12(9-21)3-5-19/h12-13,21H,2-10H2,1H3/t13-/m0/s1.
What are the key properties of 1-[4-(hydroxymethyl)piperidin-1-yl]-2-[(3S)-4-(4-methylthiadiazole-5-carbonyl)morpholin-3-yl]ethanone?
1-[4-(hydroxymethyl)piperidin-1-yl]-2-[(3S)-4-(4-methylthiadiazole-5-carbonyl)morpholin-3-yl]ethanone has a molecular weight of 368.46 g/mol, XLogP of 0.31, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(hydroxymethyl)piperidin-1-yl]-2-[(3S)-4-(4-methylthiadiazole-5-carbonyl)morpholin-3-yl]ethanone is sourced from PubChem (CID 95862421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).