N-[1-[[1-(cyclopropylmethyl)-3-hydroxy-2-oxopiperidin-3-yl]methyl]piperidin-4-yl]acetamide

C17H29N3O3 — CID 56758793

IUPACN-[1-[[1-(cyclopropylmethyl)-3-hydroxy-2-oxopiperidin-3-yl]methyl]piperidin-4-yl]acetamide
SMILESCC(=O)NC1CCN(CC2(O)CCCN(CC3CC3)C2=O)CC1
InChIInChI=1S/C17H29N3O3/c1-13(21)18-15-5-9-19(10-6-15)12-17(23)7-2-8-20(16(17)22)11-14-3-4-14/h14-15,23H,2-12H2,1H3,(H,18,21)
InChIKeyUOUUKGQKPVMZGX-UHFFFAOYSA-N
MW323.44 g/mol
LogP0.35
Rot. Bonds5

About N-[1-[[1-(cyclopropylmethyl)-3-hydroxy-2-oxopiperidin-3-yl]methyl]piperidin-4-yl]acetamide

N-[1-[[1-(cyclopropylmethyl)-3-hydroxy-2-oxopiperidin-3-yl]methyl]piperidin-4-yl]acetamide (PubChem CID 56758793) has the molecular formula C17H29N3O3 and a molecular weight of 323.44 g/mol. Its IUPAC name is N-[1-[[1-(cyclopropylmethyl)-3-hydroxy-2-oxopiperidin-3-yl]methyl]piperidin-4-yl]acetamide.

Molecular Properties

Compound NameN-[1-[[1-(cyclopropylmethyl)-3-hydroxy-2-oxopiperidin-3-yl]methyl]piperidin-4-yl]acetamide
PubChem CID56758793
Molecular FormulaC17H29N3O3
Molecular Weight323.44 g/mol
Exact Mass323.22
IUPAC NameN-[1-[[1-(cyclopropylmethyl)-3-hydroxy-2-oxopiperidin-3-yl]methyl]piperidin-4-yl]acetamide
SMILESCC(=O)NC1CCN(CC2(O)CCCN(CC3CC3)C2=O)CC1
InChIInChI=1S/C17H29N3O3/c1-13(21)18-15-5-9-19(10-6-15)12-17(23)7-2-8-20(16(17)22)11-14-3-4-14/h14-15,23H,2-12H2,1H3,(H,18,21)
InChIKeyUOUUKGQKPVMZGX-UHFFFAOYSA-N
XLogP0.35
TPSA72.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 50.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-[[1-(cyclopropylmethyl)-3-hydroxy-2-oxopiperidin-3-yl]methyl]piperidin-4-yl]acetamide?
The IUPAC name of N-[1-[[1-(cyclopropylmethyl)-3-hydroxy-2-oxopiperidin-3-yl]methyl]piperidin-4-yl]acetamide (CID 56758793) is N-[1-[[1-(cyclopropylmethyl)-3-hydroxy-2-oxopiperidin-3-yl]methyl]piperidin-4-yl]acetamide.
What is the SMILES notation for N-[1-[[1-(cyclopropylmethyl)-3-hydroxy-2-oxopiperidin-3-yl]methyl]piperidin-4-yl]acetamide?
The canonical SMILES for N-[1-[[1-(cyclopropylmethyl)-3-hydroxy-2-oxopiperidin-3-yl]methyl]piperidin-4-yl]acetamide is CC(=O)NC1CCN(CC2(O)CCCN(CC3CC3)C2=O)CC1.
What is the InChIKey of N-[1-[[1-(cyclopropylmethyl)-3-hydroxy-2-oxopiperidin-3-yl]methyl]piperidin-4-yl]acetamide?
The InChIKey is UOUUKGQKPVMZGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O3/c1-13(21)18-15-5-9-19(10-6-15)12-17(23)7-2-8-20(16(17)22)11-14-3-4-14/h14-15,23H,2-12H2,1H3,(H,18,21).
What are the key properties of N-[1-[[1-(cyclopropylmethyl)-3-hydroxy-2-oxopiperidin-3-yl]methyl]piperidin-4-yl]acetamide?
N-[1-[[1-(cyclopropylmethyl)-3-hydroxy-2-oxopiperidin-3-yl]methyl]piperidin-4-yl]acetamide has a molecular weight of 323.44 g/mol, XLogP of 0.35, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[[1-(cyclopropylmethyl)-3-hydroxy-2-oxopiperidin-3-yl]methyl]piperidin-4-yl]acetamide is sourced from PubChem (CID 56758793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).