[1-(1H-indol-6-ylmethyl)piperidin-4-yl]-(1,3-oxazol-2-yl)methanone

C18H19N3O2 — CID 23725525

IUPAC[1-(1H-indol-6-ylmethyl)piperidin-4-yl]-(1,3-oxazol-2-yl)methanone
SMILESO=C(c1ncco1)C1CCN(Cc2ccc3cc[nH]c3c2)CC1
InChIInChI=1S/C18H19N3O2/c22-17(18-20-7-10-23-18)15-4-8-21(9-5-15)12-13-1-2-14-3-6-19-16(14)11-13/h1-3,6-7,10-11,15,19H,4-5,8-9,12H2
InChIKeyKOZVYDWQVDJAKX-UHFFFAOYSA-N
MW309.37 g/mol
LogP3.25
Rot. Bonds4

About [1-(1H-indol-6-ylmethyl)piperidin-4-yl]-(1,3-oxazol-2-yl)methanone

[1-(1H-indol-6-ylmethyl)piperidin-4-yl]-(1,3-oxazol-2-yl)methanone (PubChem CID 23725525) has the molecular formula C18H19N3O2 and a molecular weight of 309.37 g/mol. Its IUPAC name is [1-(1H-indol-6-ylmethyl)piperidin-4-yl]-(1,3-oxazol-2-yl)methanone.

Molecular Properties

Compound Name[1-(1H-indol-6-ylmethyl)piperidin-4-yl]-(1,3-oxazol-2-yl)methanone
PubChem CID23725525
Molecular FormulaC18H19N3O2
Molecular Weight309.37 g/mol
Exact Mass309.15
IUPAC Name[1-(1H-indol-6-ylmethyl)piperidin-4-yl]-(1,3-oxazol-2-yl)methanone
SMILESO=C(c1ncco1)C1CCN(Cc2ccc3cc[nH]c3c2)CC1
InChIInChI=1S/C18H19N3O2/c22-17(18-20-7-10-23-18)15-4-8-21(9-5-15)12-13-1-2-14-3-6-19-16(14)11-13/h1-3,6-7,10-11,15,19H,4-5,8-9,12H2
InChIKeyKOZVYDWQVDJAKX-UHFFFAOYSA-N
XLogP3.25
TPSA62.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1,3-oxazol-2-yl-[1-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-4-yl]methanone
CID 23725431
[1-[1-(1H-indol-5-yl)ethyl]piperidin-4-yl]-(1,3-oxazol-2-yl)methanone
CID 68771708
[1-[(8-chloroquinolin-2-yl)methyl]piperidin-4-yl]-(1,3-oxazol-2-yl)methanone
CID 23725741
1-(1H-indol-5-ylmethyl)-N-(pyrazin-2-ylmethyl)piperidine-4-carboxamide
CID 155249317
1,3-oxazol-2-yl(piperidin-4-yl)methanone;hydrochloride
CID 68771759
6-[[4-[3-(1H-imidazol-2-yl)pyrazin-2-yl]piperidin-1-yl]methyl]-1H-indole
CID 110110865
4-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]-1-(1,3-oxazol-2-yl)butan-1-one
CID 16747141
2-[[1-(1H-indol-6-ylmethyl)pyrrolidin-3-yl]methyl]-1,3-thiazole-4-carboxylic acid
CID 166274402
9-(1H-indol-6-ylmethyl)-1-oxa-9-azaspiro[5.5]undecan-4-ol
CID 110196168
5-[(4-methylpiperidin-1-yl)methyl]-1H-indole
CID 90949338
3-[[1-(1H-indol-6-ylmethyl)piperidin-3-yl]methyl]pyrazin-2-amine
CID 110113201
[1-(naphthalen-2-ylmethyl)piperidin-4-yl]-phenylmethanone
CID 19771944

Frequently Asked Questions

What is the IUPAC name of [1-(1H-indol-6-ylmethyl)piperidin-4-yl]-(1,3-oxazol-2-yl)methanone?
The IUPAC name of [1-(1H-indol-6-ylmethyl)piperidin-4-yl]-(1,3-oxazol-2-yl)methanone (CID 23725525) is [1-(1H-indol-6-ylmethyl)piperidin-4-yl]-(1,3-oxazol-2-yl)methanone.
What is the SMILES notation for [1-(1H-indol-6-ylmethyl)piperidin-4-yl]-(1,3-oxazol-2-yl)methanone?
The canonical SMILES for [1-(1H-indol-6-ylmethyl)piperidin-4-yl]-(1,3-oxazol-2-yl)methanone is O=C(c1ncco1)C1CCN(Cc2ccc3cc[nH]c3c2)CC1.
What is the InChIKey of [1-(1H-indol-6-ylmethyl)piperidin-4-yl]-(1,3-oxazol-2-yl)methanone?
The InChIKey is KOZVYDWQVDJAKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O2/c22-17(18-20-7-10-23-18)15-4-8-21(9-5-15)12-13-1-2-14-3-6-19-16(14)11-13/h1-3,6-7,10-11,15,19H,4-5,8-9,12H2.
What are the key properties of [1-(1H-indol-6-ylmethyl)piperidin-4-yl]-(1,3-oxazol-2-yl)methanone?
[1-(1H-indol-6-ylmethyl)piperidin-4-yl]-(1,3-oxazol-2-yl)methanone has a molecular weight of 309.37 g/mol, XLogP of 3.25, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(1H-indol-6-ylmethyl)piperidin-4-yl]-(1,3-oxazol-2-yl)methanone is sourced from PubChem (CID 23725525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).