2-[3-[4-hydroxy-4-(pyrrolidin-1-ylmethyl)piperidine-1-carbonyl]piperidin-1-yl]acetamide

C18H32N4O3 — CID 131943214

IUPAC2-[3-[4-hydroxy-4-(pyrrolidin-1-ylmethyl)piperidine-1-carbonyl]piperidin-1-yl]acetamide
SMILESNC(=O)CN1CCCC(C(=O)N2CCC(O)(CN3CCCC3)CC2)C1
InChIInChI=1S/C18H32N4O3/c19-16(23)13-21-9-3-4-15(12-21)17(24)22-10-5-18(25,6-11-22)14-20-7-1-2-8-20/h15,25H,1-14H2,(H2,19,23)
InChIKeyHLTOQQWQDGCHOM-UHFFFAOYSA-N
MW352.48 g/mol
LogP-0.37
Rot. Bonds5

About 2-[3-[4-hydroxy-4-(pyrrolidin-1-ylmethyl)piperidine-1-carbonyl]piperidin-1-yl]acetamide

2-[3-[4-hydroxy-4-(pyrrolidin-1-ylmethyl)piperidine-1-carbonyl]piperidin-1-yl]acetamide (PubChem CID 131943214) has the molecular formula C18H32N4O3 and a molecular weight of 352.48 g/mol. Its IUPAC name is 2-[3-[4-hydroxy-4-(pyrrolidin-1-ylmethyl)piperidine-1-carbonyl]piperidin-1-yl]acetamide.

Molecular Properties

Compound Name2-[3-[4-hydroxy-4-(pyrrolidin-1-ylmethyl)piperidine-1-carbonyl]piperidin-1-yl]acetamide
PubChem CID131943214
Molecular FormulaC18H32N4O3
Molecular Weight352.48 g/mol
Exact Mass352.25
IUPAC Name2-[3-[4-hydroxy-4-(pyrrolidin-1-ylmethyl)piperidine-1-carbonyl]piperidin-1-yl]acetamide
SMILESNC(=O)CN1CCCC(C(=O)N2CCC(O)(CN3CCCC3)CC2)C1
InChIInChI=1S/C18H32N4O3/c19-16(23)13-21-9-3-4-15(12-21)17(24)22-10-5-18(25,6-11-22)14-20-7-1-2-8-20/h15,25H,1-14H2,(H2,19,23)
InChIKeyHLTOQQWQDGCHOM-UHFFFAOYSA-N
XLogP-0.37
TPSA90.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.48
LogP ≤ 5-0.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[4-hydroxy-4-(pyrrolidin-1-ylmethyl)piperidine-1-carbonyl]piperidin-1-yl]acetamide?
The IUPAC name of 2-[3-[4-hydroxy-4-(pyrrolidin-1-ylmethyl)piperidine-1-carbonyl]piperidin-1-yl]acetamide (CID 131943214) is 2-[3-[4-hydroxy-4-(pyrrolidin-1-ylmethyl)piperidine-1-carbonyl]piperidin-1-yl]acetamide.
What is the SMILES notation for 2-[3-[4-hydroxy-4-(pyrrolidin-1-ylmethyl)piperidine-1-carbonyl]piperidin-1-yl]acetamide?
The canonical SMILES for 2-[3-[4-hydroxy-4-(pyrrolidin-1-ylmethyl)piperidine-1-carbonyl]piperidin-1-yl]acetamide is NC(=O)CN1CCCC(C(=O)N2CCC(O)(CN3CCCC3)CC2)C1.
What is the InChIKey of 2-[3-[4-hydroxy-4-(pyrrolidin-1-ylmethyl)piperidine-1-carbonyl]piperidin-1-yl]acetamide?
The InChIKey is HLTOQQWQDGCHOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N4O3/c19-16(23)13-21-9-3-4-15(12-21)17(24)22-10-5-18(25,6-11-22)14-20-7-1-2-8-20/h15,25H,1-14H2,(H2,19,23).
What are the key properties of 2-[3-[4-hydroxy-4-(pyrrolidin-1-ylmethyl)piperidine-1-carbonyl]piperidin-1-yl]acetamide?
2-[3-[4-hydroxy-4-(pyrrolidin-1-ylmethyl)piperidine-1-carbonyl]piperidin-1-yl]acetamide has a molecular weight of 352.48 g/mol, XLogP of -0.37, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[4-hydroxy-4-(pyrrolidin-1-ylmethyl)piperidine-1-carbonyl]piperidin-1-yl]acetamide is sourced from PubChem (CID 131943214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).