[1-(1,3-benzoxazol-2-ylmethyl)piperidin-4-yl]-morpholin-4-ylmethanone

C18H23N3O3 — CID 56810173

IUPAC[1-(1,3-benzoxazol-2-ylmethyl)piperidin-4-yl]-morpholin-4-ylmethanone
SMILESO=C(C1CCN(Cc2nc3ccccc3o2)CC1)N1CCOCC1
InChIInChI=1S/C18H23N3O3/c22-18(21-9-11-23-12-10-21)14-5-7-20(8-6-14)13-17-19-15-3-1-2-4-16(15)24-17/h1-4,14H,5-13H2
InChIKeyCQEQAUZSBWLTBN-UHFFFAOYSA-N
MW329.40 g/mol
LogP1.90
Rot. Bonds3

About [1-(1,3-benzoxazol-2-ylmethyl)piperidin-4-yl]-morpholin-4-ylmethanone

[1-(1,3-benzoxazol-2-ylmethyl)piperidin-4-yl]-morpholin-4-ylmethanone (PubChem CID 56810173) has the molecular formula C18H23N3O3 and a molecular weight of 329.40 g/mol. Its IUPAC name is [1-(1,3-benzoxazol-2-ylmethyl)piperidin-4-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[1-(1,3-benzoxazol-2-ylmethyl)piperidin-4-yl]-morpholin-4-ylmethanone
PubChem CID56810173
Molecular FormulaC18H23N3O3
Molecular Weight329.40 g/mol
Exact Mass329.17
IUPAC Name[1-(1,3-benzoxazol-2-ylmethyl)piperidin-4-yl]-morpholin-4-ylmethanone
SMILESO=C(C1CCN(Cc2nc3ccccc3o2)CC1)N1CCOCC1
InChIInChI=1S/C18H23N3O3/c22-18(21-9-11-23-12-10-21)14-5-7-20(8-6-14)13-17-19-15-3-1-2-4-16(15)24-17/h1-4,14H,5-13H2
InChIKeyCQEQAUZSBWLTBN-UHFFFAOYSA-N
XLogP1.90
TPSA58.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[4-(1,3-benzoxazol-2-ylmethyl)piperazin-1-yl]-cyclopentylmethanone
CID 36880399
1-(1,3-benzoxazol-2-ylmethyl)piperidine-4-carboxamide
CID 9443132
[1-(1,3-benzoxazol-2-ylmethyl)piperidin-4-yl]-(2,3-dihydro-1,4-benzodioxin-6-yl)methanone
CID 18142951
[1-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-4-yl]-morpholin-4-ylmethanone
CID 55409921
[1-(1,3-benzoxazol-2-yl)piperidin-4-yl]-piperidin-1-ylmethanone
CID 3415222
1-(4-benzylpiperazin-1-yl)-2-[4-(morpholine-4-carbonyl)piperidin-1-yl]ethanone
CID 55446651
4-(1,3-benzoxazol-2-ylmethyl)-N-cyclopentylpiperazine-1-carboxamide
CID 53078498
[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-morpholin-4-ylmethanone
CID 4535496
2-(1,3-benzoxazol-2-yl)-1-(oxan-4-yl)ethanone
CID 62905162
[1-[1-[(2-hydroxyphenyl)methyl]piperidin-4-yl]piperidin-4-yl]-morpholin-4-ylmethanone
CID 42457414
1-(1,3-benzoxazol-2-ylmethyl)azepane-2-carboxylic acid
CID 64563936
2-[[4-(morpholine-4-carbonyl)piperidin-1-yl]methyl]benzonitrile
CID 56810172

Frequently Asked Questions

What is the IUPAC name of [1-(1,3-benzoxazol-2-ylmethyl)piperidin-4-yl]-morpholin-4-ylmethanone?
The IUPAC name of [1-(1,3-benzoxazol-2-ylmethyl)piperidin-4-yl]-morpholin-4-ylmethanone (CID 56810173) is [1-(1,3-benzoxazol-2-ylmethyl)piperidin-4-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [1-(1,3-benzoxazol-2-ylmethyl)piperidin-4-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [1-(1,3-benzoxazol-2-ylmethyl)piperidin-4-yl]-morpholin-4-ylmethanone is O=C(C1CCN(Cc2nc3ccccc3o2)CC1)N1CCOCC1.
What is the InChIKey of [1-(1,3-benzoxazol-2-ylmethyl)piperidin-4-yl]-morpholin-4-ylmethanone?
The InChIKey is CQEQAUZSBWLTBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O3/c22-18(21-9-11-23-12-10-21)14-5-7-20(8-6-14)13-17-19-15-3-1-2-4-16(15)24-17/h1-4,14H,5-13H2.
What are the key properties of [1-(1,3-benzoxazol-2-ylmethyl)piperidin-4-yl]-morpholin-4-ylmethanone?
[1-(1,3-benzoxazol-2-ylmethyl)piperidin-4-yl]-morpholin-4-ylmethanone has a molecular weight of 329.40 g/mol, XLogP of 1.90, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(1,3-benzoxazol-2-ylmethyl)piperidin-4-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 56810173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).