N-[1-[(3-hydroxypyrrolidin-3-yl)methyl]piperidin-4-yl]acetamide

C12H23N3O2 — CID 73439620

IUPACN-[1-[(3-hydroxypyrrolidin-3-yl)methyl]piperidin-4-yl]acetamide
SMILESCC(=O)NC1CCN(CC2(O)CCNC2)CC1
InChIInChI=1S/C12H23N3O2/c1-10(16)14-11-2-6-15(7-3-11)9-12(17)4-5-13-8-12/h11,13,17H,2-9H2,1H3,(H,14,16)
InChIKeyOYYZNPXFYFOCTO-UHFFFAOYSA-N
MW241.33 g/mol
LogP-0.69
Rot. Bonds3

About N-[1-[(3-hydroxypyrrolidin-3-yl)methyl]piperidin-4-yl]acetamide

N-[1-[(3-hydroxypyrrolidin-3-yl)methyl]piperidin-4-yl]acetamide (PubChem CID 73439620) has the molecular formula C12H23N3O2 and a molecular weight of 241.33 g/mol. Its IUPAC name is N-[1-[(3-hydroxypyrrolidin-3-yl)methyl]piperidin-4-yl]acetamide.

Molecular Properties

Compound NameN-[1-[(3-hydroxypyrrolidin-3-yl)methyl]piperidin-4-yl]acetamide
PubChem CID73439620
Molecular FormulaC12H23N3O2
Molecular Weight241.33 g/mol
Exact Mass241.18
IUPAC NameN-[1-[(3-hydroxypyrrolidin-3-yl)methyl]piperidin-4-yl]acetamide
SMILESCC(=O)NC1CCN(CC2(O)CCNC2)CC1
InChIInChI=1S/C12H23N3O2/c1-10(16)14-11-2-6-15(7-3-11)9-12(17)4-5-13-8-12/h11,13,17H,2-9H2,1H3,(H,14,16)
InChIKeyOYYZNPXFYFOCTO-UHFFFAOYSA-N
XLogP-0.69
TPSA64.60 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 5-0.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-[(3-hydroxypyrrolidin-3-yl)methyl]piperidin-4-yl]acetamide?
The IUPAC name of N-[1-[(3-hydroxypyrrolidin-3-yl)methyl]piperidin-4-yl]acetamide (CID 73439620) is N-[1-[(3-hydroxypyrrolidin-3-yl)methyl]piperidin-4-yl]acetamide.
What is the SMILES notation for N-[1-[(3-hydroxypyrrolidin-3-yl)methyl]piperidin-4-yl]acetamide?
The canonical SMILES for N-[1-[(3-hydroxypyrrolidin-3-yl)methyl]piperidin-4-yl]acetamide is CC(=O)NC1CCN(CC2(O)CCNC2)CC1.
What is the InChIKey of N-[1-[(3-hydroxypyrrolidin-3-yl)methyl]piperidin-4-yl]acetamide?
The InChIKey is OYYZNPXFYFOCTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O2/c1-10(16)14-11-2-6-15(7-3-11)9-12(17)4-5-13-8-12/h11,13,17H,2-9H2,1H3,(H,14,16).
What are the key properties of N-[1-[(3-hydroxypyrrolidin-3-yl)methyl]piperidin-4-yl]acetamide?
N-[1-[(3-hydroxypyrrolidin-3-yl)methyl]piperidin-4-yl]acetamide has a molecular weight of 241.33 g/mol, XLogP of -0.69, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(3-hydroxypyrrolidin-3-yl)methyl]piperidin-4-yl]acetamide is sourced from PubChem (CID 73439620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).