N-[1-[2-[4-(3-morpholin-4-ylpropyl)piperidin-1-yl]acetyl]piperidin-3-yl]acetamide

C21H38N4O3 — CID 75451471

IUPACN-[1-[2-[4-(3-morpholin-4-ylpropyl)piperidin-1-yl]acetyl]piperidin-3-yl]acetamide
SMILESCC(=O)NC1CCCN(C(=O)CN2CCC(CCCN3CCOCC3)CC2)C1
InChIInChI=1S/C21H38N4O3/c1-18(26)22-20-5-3-9-25(16-20)21(27)17-24-10-6-19(7-11-24)4-2-8-23-12-14-28-15-13-23/h19-20H,2-17H2,1H3,(H,22,26)
InChIKeyQMKZUVCMAOWFNE-UHFFFAOYSA-N
MW394.56 g/mol
LogP0.94
Rot. Bonds7

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

N-[1-[2-[4-(3-morpholin-4-ylpropyl)piperidin-1-yl]acetyl]piperidin-3-yl]acetamide (PubChem CID 75451471) has the molecular formula C21H38N4O3 and a molecular weight of 394.56 g/mol. Its IUPAC name is N-[1-[2-[4-(3-morpholin-4-ylpropyl)piperidin-1-yl]acetyl]piperidin-3-yl]acetamide.

Molecular Properties

Compound NameN-[1-[2-[4-(3-morpholin-4-ylpropyl)piperidin-1-yl]acetyl]piperidin-3-yl]acetamide
PubChem CID75451471
Molecular FormulaC21H38N4O3
Molecular Weight394.56 g/mol
Exact Mass394.29
IUPAC NameN-[1-[2-[4-(3-morpholin-4-ylpropyl)piperidin-1-yl]acetyl]piperidin-3-yl]acetamide
SMILESCC(=O)NC1CCCN(C(=O)CN2CCC(CCCN3CCOCC3)CC2)C1
InChIInChI=1S/C21H38N4O3/c1-18(26)22-20-5-3-9-25(16-20)21(27)17-24-10-6-19(7-11-24)4-2-8-23-12-14-28-15-13-23/h19-20H,2-17H2,1H3,(H,22,26)
InChIKeyQMKZUVCMAOWFNE-UHFFFAOYSA-N
XLogP0.94
TPSA65.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.56
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-[2-[4-(3-morpholin-4-ylpropyl)piperidin-1-yl]acetyl]piperidin-3-yl]acetamide?
The IUPAC name of N-[1-[2-[4-(3-morpholin-4-ylpropyl)piperidin-1-yl]acetyl]piperidin-3-yl]acetamide (CID 75451471) is N-[1-[2-[4-(3-morpholin-4-ylpropyl)piperidin-1-yl]acetyl]piperidin-3-yl]acetamide.
What is the SMILES notation for N-[1-[2-[4-(3-morpholin-4-ylpropyl)piperidin-1-yl]acetyl]piperidin-3-yl]acetamide?
The canonical SMILES for N-[1-[2-[4-(3-morpholin-4-ylpropyl)piperidin-1-yl]acetyl]piperidin-3-yl]acetamide is CC(=O)NC1CCCN(C(=O)CN2CCC(CCCN3CCOCC3)CC2)C1.
What is the InChIKey of N-[1-[2-[4-(3-morpholin-4-ylpropyl)piperidin-1-yl]acetyl]piperidin-3-yl]acetamide?
The InChIKey is QMKZUVCMAOWFNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H38N4O3/c1-18(26)22-20-5-3-9-25(16-20)21(27)17-24-10-6-19(7-11-24)4-2-8-23-12-14-28-15-13-23/h19-20H,2-17H2,1H3,(H,22,26).
What are the key properties of N-[1-[2-[4-(3-morpholin-4-ylpropyl)piperidin-1-yl]acetyl]piperidin-3-yl]acetamide?
N-[1-[2-[4-(3-morpholin-4-ylpropyl)piperidin-1-yl]acetyl]piperidin-3-yl]acetamide has a molecular weight of 394.56 g/mol, XLogP of 0.94, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-[4-(3-morpholin-4-ylpropyl)piperidin-1-yl]acetyl]piperidin-3-yl]acetamide is sourced from PubChem (CID 75451471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).