N-(1-cyclopentylcyclopropyl)-2-[1-(5-methoxy-1,3-benzoxazol-2-yl)piperidin-3-yl]acetamide

C23H31N3O3 — CID 154818013

IUPACN-(1-cyclopentylcyclopropyl)-2-[1-(5-methoxy-1,3-benzoxazol-2-yl)piperidin-3-yl]acetamide
SMILESCOc1ccc2oc(N3CCCC(CC(=O)NC4(C5CCCC5)CC4)C3)nc2c1
InChIInChI=1S/C23H31N3O3/c1-28-18-8-9-20-19(14-18)24-22(29-20)26-12-4-5-16(15-26)13-21(27)25-23(10-11-23)17-6-2-3-7-17/h8-9,14,16-17H,2-7,10-13,15H2,1H3,(H,25,27)
InChIKeyWAQJYWWQKHJEPL-UHFFFAOYSA-N
MW397.52 g/mol
LogP4.28
Rot. Bonds6

About N-(1-cyclopentylcyclopropyl)-2-[1-(5-methoxy-1,3-benzoxazol-2-yl)piperidin-3-yl]acetamide

N-(1-cyclopentylcyclopropyl)-2-[1-(5-methoxy-1,3-benzoxazol-2-yl)piperidin-3-yl]acetamide (PubChem CID 154818013) has the molecular formula C23H31N3O3 and a molecular weight of 397.52 g/mol. Its IUPAC name is N-(1-cyclopentylcyclopropyl)-2-[1-(5-methoxy-1,3-benzoxazol-2-yl)piperidin-3-yl]acetamide.

Molecular Properties

Compound NameN-(1-cyclopentylcyclopropyl)-2-[1-(5-methoxy-1,3-benzoxazol-2-yl)piperidin-3-yl]acetamide
PubChem CID154818013
Molecular FormulaC23H31N3O3
Molecular Weight397.52 g/mol
Exact Mass397.24
IUPAC NameN-(1-cyclopentylcyclopropyl)-2-[1-(5-methoxy-1,3-benzoxazol-2-yl)piperidin-3-yl]acetamide
SMILESCOc1ccc2oc(N3CCCC(CC(=O)NC4(C5CCCC5)CC4)C3)nc2c1
InChIInChI=1S/C23H31N3O3/c1-28-18-8-9-20-19(14-18)24-22(29-20)26-12-4-5-16(15-26)13-21(27)25-23(10-11-23)17-6-2-3-7-17/h8-9,14,16-17H,2-7,10-13,15H2,1H3,(H,25,27)
InChIKeyWAQJYWWQKHJEPL-UHFFFAOYSA-N
XLogP4.28
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.52
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[1-(hydroxymethyl)cyclopentyl]methyl]-2-[1-(5-methoxy-1,3-benzoxazol-2-yl)piperidin-3-yl]acetamide
CID 154567874
N-(3-hydroxy-3-methylbutyl)-2-[1-(5-methoxy-1,3-benzoxazol-2-yl)piperidin-3-yl]acetamide
CID 154820589
N-[2-(4,6-dimethylpyrimidin-2-yl)ethyl]-2-[1-(5-methoxy-1,3-benzoxazol-2-yl)piperidin-3-yl]acetamide
CID 154820253
ethyl 3-[[2-[1-(5-methoxy-1,3-benzoxazol-2-yl)piperidin-3-yl]acetyl]amino]propanoate
CID 155505002
2-[1-(5-methoxy-1,3-benzoxazol-2-yl)piperidin-3-yl]-1-[4-(methoxymethyl)piperidin-1-yl]ethanone
CID 154822976
N-[[1-(hydroxymethyl)cyclobutyl]methyl]-2-[1-(5-methoxy-1,3-benzoxazol-2-yl)piperidin-3-yl]-N-methylacetamide
CID 154571480
2-[1-(5-methoxy-1,3-benzoxazol-2-yl)piperidin-3-yl]-N-[2-(1H-pyrazol-4-yl)ethyl]acetamide
CID 154569342
2-[1-(5-methoxy-1,3-benzoxazol-2-yl)piperidin-3-yl]-1-(3,3,4-trimethylpiperazin-1-yl)ethanone
CID 154571521
N-[(3-cyanophenyl)methyl]-2-[1-(5-methoxy-1,3-benzoxazol-2-yl)piperidin-3-yl]acetamide
CID 154821408
2-[1-(5-methoxy-1,3-benzoxazol-2-yl)piperidin-3-yl]-N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]acetamide
CID 154570710
2-[1-(5-methoxy-1,3-benzoxazol-2-yl)piperidin-3-yl]-N-methyl-N-(pyridin-2-ylmethyl)acetamide
CID 154819564
2-[1-(6-chloro-1,3-benzoxazol-2-yl)piperidin-3-yl]-N-[1-(methoxymethyl)cyclopentyl]acetamide
CID 154565157

Frequently Asked Questions

What is the IUPAC name of N-(1-cyclopentylcyclopropyl)-2-[1-(5-methoxy-1,3-benzoxazol-2-yl)piperidin-3-yl]acetamide?
The IUPAC name of N-(1-cyclopentylcyclopropyl)-2-[1-(5-methoxy-1,3-benzoxazol-2-yl)piperidin-3-yl]acetamide (CID 154818013) is N-(1-cyclopentylcyclopropyl)-2-[1-(5-methoxy-1,3-benzoxazol-2-yl)piperidin-3-yl]acetamide.
What is the SMILES notation for N-(1-cyclopentylcyclopropyl)-2-[1-(5-methoxy-1,3-benzoxazol-2-yl)piperidin-3-yl]acetamide?
The canonical SMILES for N-(1-cyclopentylcyclopropyl)-2-[1-(5-methoxy-1,3-benzoxazol-2-yl)piperidin-3-yl]acetamide is COc1ccc2oc(N3CCCC(CC(=O)NC4(C5CCCC5)CC4)C3)nc2c1.
What is the InChIKey of N-(1-cyclopentylcyclopropyl)-2-[1-(5-methoxy-1,3-benzoxazol-2-yl)piperidin-3-yl]acetamide?
The InChIKey is WAQJYWWQKHJEPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N3O3/c1-28-18-8-9-20-19(14-18)24-22(29-20)26-12-4-5-16(15-26)13-21(27)25-23(10-11-23)17-6-2-3-7-17/h8-9,14,16-17H,2-7,10-13,15H2,1H3,(H,25,27).
What are the key properties of N-(1-cyclopentylcyclopropyl)-2-[1-(5-methoxy-1,3-benzoxazol-2-yl)piperidin-3-yl]acetamide?
N-(1-cyclopentylcyclopropyl)-2-[1-(5-methoxy-1,3-benzoxazol-2-yl)piperidin-3-yl]acetamide has a molecular weight of 397.52 g/mol, XLogP of 4.28, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclopentylcyclopropyl)-2-[1-(5-methoxy-1,3-benzoxazol-2-yl)piperidin-3-yl]acetamide is sourced from PubChem (CID 154818013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).