[4-(1,3-benzoxazol-2-ylmethyl)piperazin-1-yl]-cyclopentylmethanone

C18H23N3O2 — CID 36880399

IUPAC[4-(1,3-benzoxazol-2-ylmethyl)piperazin-1-yl]-cyclopentylmethanone
SMILESO=C(C1CCCC1)N1CCN(Cc2nc3ccccc3o2)CC1
InChIInChI=1S/C18H23N3O2/c22-18(14-5-1-2-6-14)21-11-9-20(10-12-21)13-17-19-15-7-3-4-8-16(15)23-17/h3-4,7-8,14H,1-2,5-6,9-13H2
InChIKeyRWNJKUOIUDAWMI-UHFFFAOYSA-N
MW313.40 g/mol
LogP2.66
Rot. Bonds3

About [4-(1,3-benzoxazol-2-ylmethyl)piperazin-1-yl]-cyclopentylmethanone

[4-(1,3-benzoxazol-2-ylmethyl)piperazin-1-yl]-cyclopentylmethanone (PubChem CID 36880399) has the molecular formula C18H23N3O2 and a molecular weight of 313.40 g/mol. Its IUPAC name is [4-(1,3-benzoxazol-2-ylmethyl)piperazin-1-yl]-cyclopentylmethanone.

Molecular Properties

Compound Name[4-(1,3-benzoxazol-2-ylmethyl)piperazin-1-yl]-cyclopentylmethanone
PubChem CID36880399
Molecular FormulaC18H23N3O2
Molecular Weight313.40 g/mol
Exact Mass313.18
IUPAC Name[4-(1,3-benzoxazol-2-ylmethyl)piperazin-1-yl]-cyclopentylmethanone
SMILESO=C(C1CCCC1)N1CCN(Cc2nc3ccccc3o2)CC1
InChIInChI=1S/C18H23N3O2/c22-18(14-5-1-2-6-14)21-11-9-20(10-12-21)13-17-19-15-7-3-4-8-16(15)23-17/h3-4,7-8,14H,1-2,5-6,9-13H2
InChIKeyRWNJKUOIUDAWMI-UHFFFAOYSA-N
XLogP2.66
TPSA49.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[1-(1,3-benzoxazol-2-ylmethyl)piperidin-4-yl]-morpholin-4-ylmethanone
CID 56810173
4-(1,3-benzoxazol-2-ylmethyl)-N-cyclopentylpiperazine-1-carboxamide
CID 53078498
4-(1,3-benzoxazol-2-ylmethyl)-N-cyclohexylpiperazine-1-carboxamide
CID 33409511
1-(1,3-benzoxazol-2-ylmethyl)piperidine-4-carboxamide
CID 9443132
cyclobutyl-[4-[(5-nitro-1,3-benzoxazol-2-yl)methyl]piperazin-1-yl]methanone
CID 75424908
1-(1,3-benzoxazol-2-ylmethyl)azepane-2-carboxylic acid
CID 64563936
[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-yl]-cyclopentylmethanone
CID 9238768
[1-(1,3-benzoxazol-2-yl)piperidin-4-yl]-piperidin-1-ylmethanone
CID 3415222
ethyl (3S)-1-(1,3-benzoxazol-2-ylmethyl)piperidine-3-carboxylate
CID 81338545
4-(1,3-benzoxazol-2-ylmethyl)-N-(4-methoxyphenyl)piperazine-1-carboxamide
CID 52999881
[4-(1,2-benzoxazol-3-ylmethyl)piperazin-1-yl]-cyclohexylmethanone
CID 20972229
[1-(1,3-benzoxazol-2-ylmethyl)piperidin-3-yl]methanol
CID 60670163

Frequently Asked Questions

What is the IUPAC name of [4-(1,3-benzoxazol-2-ylmethyl)piperazin-1-yl]-cyclopentylmethanone?
The IUPAC name of [4-(1,3-benzoxazol-2-ylmethyl)piperazin-1-yl]-cyclopentylmethanone (CID 36880399) is [4-(1,3-benzoxazol-2-ylmethyl)piperazin-1-yl]-cyclopentylmethanone.
What is the SMILES notation for [4-(1,3-benzoxazol-2-ylmethyl)piperazin-1-yl]-cyclopentylmethanone?
The canonical SMILES for [4-(1,3-benzoxazol-2-ylmethyl)piperazin-1-yl]-cyclopentylmethanone is O=C(C1CCCC1)N1CCN(Cc2nc3ccccc3o2)CC1.
What is the InChIKey of [4-(1,3-benzoxazol-2-ylmethyl)piperazin-1-yl]-cyclopentylmethanone?
The InChIKey is RWNJKUOIUDAWMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O2/c22-18(14-5-1-2-6-14)21-11-9-20(10-12-21)13-17-19-15-7-3-4-8-16(15)23-17/h3-4,7-8,14H,1-2,5-6,9-13H2.
What are the key properties of [4-(1,3-benzoxazol-2-ylmethyl)piperazin-1-yl]-cyclopentylmethanone?
[4-(1,3-benzoxazol-2-ylmethyl)piperazin-1-yl]-cyclopentylmethanone has a molecular weight of 313.40 g/mol, XLogP of 2.66, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1,3-benzoxazol-2-ylmethyl)piperazin-1-yl]-cyclopentylmethanone is sourced from PubChem (CID 36880399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).