2-[(3R,4S)-1-(cyclopropanecarbonyl)-3-ethylpiperidin-4-yl]-N-(2-morpholin-4-ylethyl)acetamide

C19H33N3O3 — CID 11912271

IUPAC2-[(3R,4S)-1-(cyclopropanecarbonyl)-3-ethylpiperidin-4-yl]-N-(2-morpholin-4-ylethyl)acetamide
SMILESCC[C@H]1CN(C(=O)C2CC2)CC[C@H]1CC(=O)NCCN1CCOCC1
InChIInChI=1S/C19H33N3O3/c1-2-15-14-22(19(24)16-3-4-16)7-5-17(15)13-18(23)20-6-8-21-9-11-25-12-10-21/h15-17H,2-14H2,1H3,(H,20,23)/t15-,17-/m0/s1
InChIKeyZPNADGFGOKCXRK-RDJZCZTQSA-N
MW351.49 g/mol
LogP1.11
Rot. Bonds7

About 2-[(3R,4S)-1-(cyclopropanecarbonyl)-3-ethylpiperidin-4-yl]-N-(2-morpholin-4-ylethyl)acetamide

2-[(3R,4S)-1-(cyclopropanecarbonyl)-3-ethylpiperidin-4-yl]-N-(2-morpholin-4-ylethyl)acetamide (PubChem CID 11912271) has the molecular formula C19H33N3O3 and a molecular weight of 351.49 g/mol. Its IUPAC name is 2-[(3R,4S)-1-(cyclopropanecarbonyl)-3-ethylpiperidin-4-yl]-N-(2-morpholin-4-ylethyl)acetamide.

Molecular Properties

Compound Name2-[(3R,4S)-1-(cyclopropanecarbonyl)-3-ethylpiperidin-4-yl]-N-(2-morpholin-4-ylethyl)acetamide
PubChem CID11912271
Molecular FormulaC19H33N3O3
Molecular Weight351.49 g/mol
Exact Mass351.25
IUPAC Name2-[(3R,4S)-1-(cyclopropanecarbonyl)-3-ethylpiperidin-4-yl]-N-(2-morpholin-4-ylethyl)acetamide
SMILESCC[C@H]1CN(C(=O)C2CC2)CC[C@H]1CC(=O)NCCN1CCOCC1
InChIInChI=1S/C19H33N3O3/c1-2-15-14-22(19(24)16-3-4-16)7-5-17(15)13-18(23)20-6-8-21-9-11-25-12-10-21/h15-17H,2-14H2,1H3,(H,20,23)/t15-,17-/m0/s1
InChIKeyZPNADGFGOKCXRK-RDJZCZTQSA-N
XLogP1.11
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.49
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(3R,4S)-1-(cyclopropanecarbonyl)-3-ethylpiperidin-4-yl]-N-(2-morpholin-4-ylethyl)acetamide?
The IUPAC name of 2-[(3R,4S)-1-(cyclopropanecarbonyl)-3-ethylpiperidin-4-yl]-N-(2-morpholin-4-ylethyl)acetamide (CID 11912271) is 2-[(3R,4S)-1-(cyclopropanecarbonyl)-3-ethylpiperidin-4-yl]-N-(2-morpholin-4-ylethyl)acetamide.
What is the SMILES notation for 2-[(3R,4S)-1-(cyclopropanecarbonyl)-3-ethylpiperidin-4-yl]-N-(2-morpholin-4-ylethyl)acetamide?
The canonical SMILES for 2-[(3R,4S)-1-(cyclopropanecarbonyl)-3-ethylpiperidin-4-yl]-N-(2-morpholin-4-ylethyl)acetamide is CC[C@H]1CN(C(=O)C2CC2)CC[C@H]1CC(=O)NCCN1CCOCC1.
What is the InChIKey of 2-[(3R,4S)-1-(cyclopropanecarbonyl)-3-ethylpiperidin-4-yl]-N-(2-morpholin-4-ylethyl)acetamide?
The InChIKey is ZPNADGFGOKCXRK-RDJZCZTQSA-N. The full InChI is InChI=1S/C19H33N3O3/c1-2-15-14-22(19(24)16-3-4-16)7-5-17(15)13-18(23)20-6-8-21-9-11-25-12-10-21/h15-17H,2-14H2,1H3,(H,20,23)/t15-,17-/m0/s1.
What are the key properties of 2-[(3R,4S)-1-(cyclopropanecarbonyl)-3-ethylpiperidin-4-yl]-N-(2-morpholin-4-ylethyl)acetamide?
2-[(3R,4S)-1-(cyclopropanecarbonyl)-3-ethylpiperidin-4-yl]-N-(2-morpholin-4-ylethyl)acetamide has a molecular weight of 351.49 g/mol, XLogP of 1.11, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R,4S)-1-(cyclopropanecarbonyl)-3-ethylpiperidin-4-yl]-N-(2-morpholin-4-ylethyl)acetamide is sourced from PubChem (CID 11912271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).