N-[(3S)-1-(2-ethylpyrazole-3-carbonyl)piperidin-3-yl]-N-(3-morpholin-4-ylpropyl)acetamide

C20H33N5O3 — CID 164630856

IUPACN-[(3S)-1-(2-ethylpyrazole-3-carbonyl)piperidin-3-yl]-N-(3-morpholin-4-ylpropyl)acetamide
SMILESCCn1nccc1C(=O)N1CCC[C@H](N(CCCN2CCOCC2)C(C)=O)C1
InChIInChI=1S/C20H33N5O3/c1-3-25-19(7-8-21-25)20(27)23-10-4-6-18(16-23)24(17(2)26)11-5-9-22-12-14-28-15-13-22/h7-8,18H,3-6,9-16H2,1-2H3/t18-/m0/s1
InChIKeyOOAFUJCSDGHWGZ-SFHVURJKSA-N
MW391.52 g/mol
LogP1.08
Rot. Bonds7

About N-[(3S)-1-(2-ethylpyrazole-3-carbonyl)piperidin-3-yl]-N-(3-morpholin-4-ylpropyl)acetamide

N-[(3S)-1-(2-ethylpyrazole-3-carbonyl)piperidin-3-yl]-N-(3-morpholin-4-ylpropyl)acetamide (PubChem CID 164630856) has the molecular formula C20H33N5O3 and a molecular weight of 391.52 g/mol. Its IUPAC name is N-[(3S)-1-(2-ethylpyrazole-3-carbonyl)piperidin-3-yl]-N-(3-morpholin-4-ylpropyl)acetamide.

Molecular Properties

Compound NameN-[(3S)-1-(2-ethylpyrazole-3-carbonyl)piperidin-3-yl]-N-(3-morpholin-4-ylpropyl)acetamide
PubChem CID164630856
Molecular FormulaC20H33N5O3
Molecular Weight391.52 g/mol
Exact Mass391.26
IUPAC NameN-[(3S)-1-(2-ethylpyrazole-3-carbonyl)piperidin-3-yl]-N-(3-morpholin-4-ylpropyl)acetamide
SMILESCCn1nccc1C(=O)N1CCC[C@H](N(CCCN2CCOCC2)C(C)=O)C1
InChIInChI=1S/C20H33N5O3/c1-3-25-19(7-8-21-25)20(27)23-10-4-6-18(16-23)24(17(2)26)11-5-9-22-12-14-28-15-13-22/h7-8,18H,3-6,9-16H2,1-2H3/t18-/m0/s1
InChIKeyOOAFUJCSDGHWGZ-SFHVURJKSA-N
XLogP1.08
TPSA70.91 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.52
LogP ≤ 51.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(3S)-1-(2-ethylpyrazole-3-carbonyl)piperidin-3-yl]-N-(3-morpholin-4-ylpropyl)acetamide?
The IUPAC name of N-[(3S)-1-(2-ethylpyrazole-3-carbonyl)piperidin-3-yl]-N-(3-morpholin-4-ylpropyl)acetamide (CID 164630856) is N-[(3S)-1-(2-ethylpyrazole-3-carbonyl)piperidin-3-yl]-N-(3-morpholin-4-ylpropyl)acetamide.
What is the SMILES notation for N-[(3S)-1-(2-ethylpyrazole-3-carbonyl)piperidin-3-yl]-N-(3-morpholin-4-ylpropyl)acetamide?
The canonical SMILES for N-[(3S)-1-(2-ethylpyrazole-3-carbonyl)piperidin-3-yl]-N-(3-morpholin-4-ylpropyl)acetamide is CCn1nccc1C(=O)N1CCC[C@H](N(CCCN2CCOCC2)C(C)=O)C1.
What is the InChIKey of N-[(3S)-1-(2-ethylpyrazole-3-carbonyl)piperidin-3-yl]-N-(3-morpholin-4-ylpropyl)acetamide?
The InChIKey is OOAFUJCSDGHWGZ-SFHVURJKSA-N. The full InChI is InChI=1S/C20H33N5O3/c1-3-25-19(7-8-21-25)20(27)23-10-4-6-18(16-23)24(17(2)26)11-5-9-22-12-14-28-15-13-22/h7-8,18H,3-6,9-16H2,1-2H3/t18-/m0/s1.
What are the key properties of N-[(3S)-1-(2-ethylpyrazole-3-carbonyl)piperidin-3-yl]-N-(3-morpholin-4-ylpropyl)acetamide?
N-[(3S)-1-(2-ethylpyrazole-3-carbonyl)piperidin-3-yl]-N-(3-morpholin-4-ylpropyl)acetamide has a molecular weight of 391.52 g/mol, XLogP of 1.08, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-1-(2-ethylpyrazole-3-carbonyl)piperidin-3-yl]-N-(3-morpholin-4-ylpropyl)acetamide is sourced from PubChem (CID 164630856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).